ethyl N-(4-hydroxyphenyl)carbamate

C9H11NO3 — CID 602288

IUPACethyl N-(4-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyBECNKUVYBNETOM-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.96
Rot. Bonds2

About ethyl N-(4-hydroxyphenyl)carbamate

ethyl N-(4-hydroxyphenyl)carbamate (PubChem CID 602288) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl N-(4-hydroxyphenyl)carbamate.

Molecular Properties

Compound Nameethyl N-(4-hydroxyphenyl)carbamate
PubChem CID602288
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Nameethyl N-(4-hydroxyphenyl)carbamate
SMILESCCOC(=O)Nc1ccc(O)cc1
InChIInChI=1S/C9H11NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12)
InChIKeyBECNKUVYBNETOM-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl N-(4-hydroxyphenyl)carbamate?
The IUPAC name of ethyl N-(4-hydroxyphenyl)carbamate (CID 602288) is ethyl N-(4-hydroxyphenyl)carbamate.
What is the SMILES notation for ethyl N-(4-hydroxyphenyl)carbamate?
The canonical SMILES for ethyl N-(4-hydroxyphenyl)carbamate is CCOC(=O)Nc1ccc(O)cc1.
What is the InChIKey of ethyl N-(4-hydroxyphenyl)carbamate?
The InChIKey is BECNKUVYBNETOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-2-13-9(12)10-7-3-5-8(11)6-4-7/h3-6,11H,2H2,1H3,(H,10,12).
What are the key properties of ethyl N-(4-hydroxyphenyl)carbamate?
ethyl N-(4-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-(4-hydroxyphenyl)carbamate is sourced from PubChem (CID 602288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).