ethyl N-(3-hydroxyphenyl)carbamate

C9H11NO3 — CID 23548

IUPACethyl N-(3-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyKCLZXXMMEDEBMF-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(3-hydroxyphenyl)carbamate

ethyl N-(3-hydroxyphenyl)carbamate (PubChem CID 23548) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(3-hydroxyphenyl)carbamate
PubChem CID23548
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl N-(3-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1cccc(O)c1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyKCLZXXMMEDEBMF-UHFFFAOYSA-N
XLogP1.96
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze ethyl N-(3-hydroxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl N-(3-hydroxyphenyl)carbamate?
The IUPAC name of ethyl N-(3-hydroxyphenyl)carbamate (CID 23548) is ethyl N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for ethyl N-(3-hydroxyphenyl)carbamate is CCOC(=O)Nc1cccc(O)c1.
What is the InChIKey of ethyl N-(3-hydroxyphenyl)carbamate?
The InChIKey is KCLZXXMMEDEBMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-4-3-5-8(11)6-7/h3-6,11H,2H2,1H3,(H,10,12).
What are the key properties of ethyl N-(3-hydroxyphenyl)carbamate?
ethyl N-(3-hydroxyphenyl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 23548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).