[2-(hydroxymethyl)phenyl]-methylcarbamic acid

C9H11NO3 — CID 18370050

IUPAC[2-(hydroxymethyl)phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccccc1CO
InChIInChI=1S/C9H11NO3/c1-10(9(12)13)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyHQYQNIJEHUFDHE-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.29
Rot. Bonds2

About [2-(hydroxymethyl)phenyl]-methylcarbamic acid

[2-(hydroxymethyl)phenyl]-methylcarbamic acid (PubChem CID 18370050) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is [2-(hydroxymethyl)phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[2-(hydroxymethyl)phenyl]-methylcarbamic acid
PubChem CID18370050
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name[2-(hydroxymethyl)phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccccc1CO
InChIInChI=1S/C9H11NO3/c1-10(9(12)13)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyHQYQNIJEHUFDHE-UHFFFAOYSA-N
XLogP1.29
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2-butylphenyl)-methylcarbamic acid
CID 57194702
[2-(hydroxymethyl)phenyl]-methylsulfonylcarbamic acid
CID 89479786
2-[carboxy(methyl)amino]benzoic acid
CID 54515351
2-[2-(hydroxymethyl)-N-methylanilino]-N-methylacetamide
CID 43375132
[2-ethyl-3-(sulfanylmethyl)phenyl]-methylcarbamic acid
CID 88785002
(2-tert-butylphenyl)-methylcarbamic acid
CID 142882517
hexane;methyl-(2-methylphenyl)carbamic acid
CID 174980979
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
2-[N-(2-amino-2-oxoethyl)-2-(hydroxymethyl)anilino]acetamide
CID 62923312
[2-[methyl(2-methylpropyl)amino]phenyl]methanol
CID 10130329
[2-[(4-bromophenyl)methyl-methylamino]phenyl]methanol
CID 61415401
[2-[butyl(methyl)amino]phenyl]methanol
CID 28945677

Frequently Asked Questions

What is the IUPAC name of [2-(hydroxymethyl)phenyl]-methylcarbamic acid?
The IUPAC name of [2-(hydroxymethyl)phenyl]-methylcarbamic acid (CID 18370050) is [2-(hydroxymethyl)phenyl]-methylcarbamic acid.
What is the SMILES notation for [2-(hydroxymethyl)phenyl]-methylcarbamic acid?
The canonical SMILES for [2-(hydroxymethyl)phenyl]-methylcarbamic acid is CN(C(=O)O)c1ccccc1CO.
What is the InChIKey of [2-(hydroxymethyl)phenyl]-methylcarbamic acid?
The InChIKey is HQYQNIJEHUFDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-10(9(12)13)8-5-3-2-4-7(8)6-11/h2-5,11H,6H2,1H3,(H,12,13).
What are the key properties of [2-(hydroxymethyl)phenyl]-methylcarbamic acid?
[2-(hydroxymethyl)phenyl]-methylcarbamic acid has a molecular weight of 181.19 g/mol, XLogP of 1.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(hydroxymethyl)phenyl]-methylcarbamic acid is sourced from PubChem (CID 18370050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).