methyl N-(3-hydroxyphenyl)carbamate

C8H9NO3 — CID 26181

IUPACmethyl N-(3-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKeyFFQQCJGNKKIRMD-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.57
Rot. Bonds1

About methyl N-(3-hydroxyphenyl)carbamate

methyl N-(3-hydroxyphenyl)carbamate (PubChem CID 26181) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl N-(3-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(3-hydroxyphenyl)carbamate
PubChem CID26181
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl N-(3-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1cccc(O)c1
InChIInChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11)
InChIKeyFFQQCJGNKKIRMD-UHFFFAOYSA-N
XLogP1.57
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl N-(3-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(3-hydroxyphenyl)carbamate (CID 26181) is methyl N-(3-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(3-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(3-hydroxyphenyl)carbamate is COC(=O)Nc1cccc(O)c1.
What is the InChIKey of methyl N-(3-hydroxyphenyl)carbamate?
The InChIKey is FFQQCJGNKKIRMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)9-6-3-2-4-7(10)5-6/h2-5,10H,1H3,(H,9,11).
What are the key properties of methyl N-(3-hydroxyphenyl)carbamate?
methyl N-(3-hydroxyphenyl)carbamate has a molecular weight of 167.16 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(3-hydroxyphenyl)carbamate is sourced from PubChem (CID 26181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).