methyl N-(2-hydroxyphenyl)carbamate

C8H9NO3 — CID 819280

IUPACmethyl N-(2-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccccc1O
InChIInChI=1S/C8H9NO3/c1-12-8(11)9-6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
InChIKeySWVPURTXCYPXDZ-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.57
Rot. Bonds1

About methyl N-(2-hydroxyphenyl)carbamate

methyl N-(2-hydroxyphenyl)carbamate (PubChem CID 819280) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is methyl N-(2-hydroxyphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxyphenyl)carbamate
PubChem CID819280
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Namemethyl N-(2-hydroxyphenyl)carbamate
SMILESCOC(=O)Nc1ccccc1O
InChIInChI=1S/C8H9NO3/c1-12-8(11)9-6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11)
InChIKeySWVPURTXCYPXDZ-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

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
methyl N-[5-(methoxycarbonylamino)naphthalen-1-yl]carbamate
CID 4594667
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
methyl N-(2-nitrosophenyl)carbamate
CID 45122951
methyl N-(2-methylsulfonylphenyl)carbamate
CID 117062831
1-(2-hydroxyphenyl)-3-(methoxymethyl)urea
CID 58971826
methyl N-(9,10-dioxoanthracen-1-yl)carbamate
CID 4161864
methyl N-[2-(cyclobutadienyl)phenyl]carbamate
CID 145393747
N-[(2-hydroxyphenyl)carbamothioyl]acetamide
CID 13109787
methyl N-[2-[(E)-2-(2-methylphenyl)ethenyl]phenyl]carbamate
CID 20667567
(Z)-2-fluoro-N-(2-hydroxyphenyl)-3-methoxyprop-2-enamide
CID 84820478
methyl 2-[(2-hydroxyphenyl)carbamoylimino]propanoate
CID 91584915

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxyphenyl)carbamate?
The IUPAC name of methyl N-(2-hydroxyphenyl)carbamate (CID 819280) is methyl N-(2-hydroxyphenyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxyphenyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxyphenyl)carbamate is COC(=O)Nc1ccccc1O.
What is the InChIKey of methyl N-(2-hydroxyphenyl)carbamate?
The InChIKey is SWVPURTXCYPXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-12-8(11)9-6-4-2-3-5-7(6)10/h2-5,10H,1H3,(H,9,11).
What are the key properties of methyl N-(2-hydroxyphenyl)carbamate?
methyl N-(2-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-(2-hydroxyphenyl)carbamate is sourced from PubChem (CID 819280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).