Phenol, 2-ethyl-, methylcarbamate
Basic information
- CAS
2631-42-7- Standard SMILES
CCc1ccccc1OC(=O)NC- InChIKey
RXUSKBWVHUZEAB-UHFFFAOYSA-N- Molecular formula
- C10H13NO2
- Average molar mass
- 179.22 g/mol
- Monoisotopic mass
- 179.09462866
Names & identifiers
- Preferred name
- Phenol, 2-ethyl-, methylcarbamate
- IUPAC
- (2-ethylphenyl) N-methylcarbamate
Names & synonyms
2631-42-7Phenol, 2-ethyl-, methylcarbamate2-Ethylphenol methylcarbamate2-ethylphenyl methylcarbamateSCHEMBL9326227SCHEMBL31105729DTXSID10876031Phenol, 2-ethyl-, 1-(N-methylcarbamate)
Database identifiers
- CAS
2631-42-7- PubChem CID
- 75827
- DTXSID
DTXSID10876031- Nikkaji
- J1.582.287B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 170
Experimental & physicochemical properties
LogP1.93
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Compound notes
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