≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504765549 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504765549 |
| Canonical Smiles | COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3 |
| IUPAC Name | [1,2-bis(4-methoxyphenyl)-2-oxoethyl] N-cyclohexylcarbamate |
| InChIKey | MTNUOOJIYAKURM-UHFFFAOYSA-N |
| INCHI | 1S/C23H27NO5/c1-27-19-12-8-16(9-13-19)21(25)22(17-10-14-20(28-2)15-11-17)29-23(26)24-18-6-4-3-5-7-18/h8-15,18,22H,3-7H2,1-2H3,(H,24,26) |
| Isomeric SMILES | COC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)OC)OC(=O)NC3CCCCC3 |
| Molecular Weight | 397.47 |
| Reaxy-Rn | 7831070 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7831070&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Phenylpropanoids and polyketides |
| Class | Stilbenes |
| Subclass | Benzoins |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Benzoins |
| Alternative Parents | Alkyl-phenylketones Benzyloxycarbonyls Phenoxy compounds Methoxybenzenes Benzoyl derivatives Aryl alkyl ketones Anisoles Alkyl aryl ethers Carbamate esters Organonitrogen compounds Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Benzoin - Alkyl-phenylketone - Benzyloxycarbonyl - Phenylketone - Anisole - Benzoyl - Phenoxy compound - Phenol ether - Aryl ketone - Aryl alkyl ketone - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Carbamic acid ester - Ketone - Ether - Organooxygen compound - Organonitrogen compound - Carbonyl group - Organic nitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Organic oxide - Aromatic homomonocyclic compound |
| Description | This compound belongs to the class of organic compounds known as benzoins. These are organic compounds containing a 1,2-hydroxy ketone attached to two phenyl groups. |
| External Descriptors | Not available |
| Melt Point(°C) | 118 °C |
|---|---|
| Molecular Weight | 397.500 g/mol |
| XLogP3 | 4.800 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 8 |
| Exact Mass | 397.189 Da |
| Monoisotopic Mass | 397.189 Da |
| Topological Polar Surface Area | 73.900 Ų |
| Heavy Atom Count | 29 |
| Formal Charge | 0 |
| Complexity | 517.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
B2321161