[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid

C8H8ClNO3 — CID 18621844

IUPAC[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-3,10-11H,4H2,(H,12,13)
InChIKeyKDWCWBQWGLCZCH-UHFFFAOYSA-N
MW201.61 g/mol
LogP1.92
Rot. Bonds2

About [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid

[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid (PubChem CID 18621844) has the molecular formula C8H8ClNO3 and a molecular weight of 201.61 g/mol. Its IUPAC name is [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid.

Molecular Properties

Compound Name[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
PubChem CID18621844
Molecular FormulaC8H8ClNO3
Molecular Weight201.61 g/mol
Exact Mass201.02
IUPAC Name[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid
SMILESO=C(O)Nc1ccc(CO)c(Cl)c1
InChIInChI=1S/C8H8ClNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-3,10-11H,4H2,(H,12,13)
InChIKeyKDWCWBQWGLCZCH-UHFFFAOYSA-N
XLogP1.92
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.61
LogP ≤ 51.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-chloro-N-[3-chloro-4-(hydroxymethyl)phenyl]acetamide
CID 167990561
(4-amino-3-chlorophenyl)carbamic acid
CID 18543733
1-(3-amino-4-ethylphenyl)-3-(3,4-dichlorophenyl)urea
CID 43551526
cis-(1S,2R)-N-[3-chloro-4-(hydroxymethyl)phenyl]-2-(3-chlorophenyl)cyclopropane-1-carboxamide
CID 99777919
N-[3-chloro-4-(hydroxymethyl)phenyl]-5-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 154800069
[2-(3,4-dichloroanilino)-2-oxoethyl]carbamic acid
CID 71381636
[3-chloro-4-[(dimethylamino)methyl]phenyl]urea
CID 144820176
N-[3-hydroxy-4-(hydroxymethyl)phenyl]acetamide
CID 162349141
1-(3,4-dichlorophenyl)-3-[[3-(hydroxymethyl)phenyl]methyl]urea
CID 63312064
[3-chloro-4-(4-methylpiperazin-1-yl)phenyl]carbamic acid
CID 141195641
1-[[3-tert-butyl-1-(3-chlorophenyl)pyrazol-5-yl]methyl]-3-[3-chloro-4-(hydroxymethyl)phenyl]urea
CID 70816584
[5-bromo-2-(hydroxymethyl)phenyl]carbamic acid
CID 146422384

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid?
The IUPAC name of [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid (CID 18621844) is [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid.
What is the SMILES notation for [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid?
The canonical SMILES for [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid is O=C(O)Nc1ccc(CO)c(Cl)c1.
What is the InChIKey of [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid?
The InChIKey is KDWCWBQWGLCZCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClNO3/c9-7-3-6(10-8(12)13)2-1-5(7)4-11/h1-3,10-11H,4H2,(H,12,13).
What are the key properties of [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid?
[3-chloro-4-(hydroxymethyl)phenyl]carbamic acid has a molecular weight of 201.61 g/mol, XLogP of 1.92, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-(hydroxymethyl)phenyl]carbamic acid is sourced from PubChem (CID 18621844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).