2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid

C8H7ClO4 — CID 72775330

IUPAC2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)cc(Cl)c1
InChIInChI=1S/C8H7ClO4/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,10-11H,(H,12,13)
InChIKeyZOKKYZSRKMYFDZ-UHFFFAOYSA-N
MW202.59 g/mol
LogP1.16
Rot. Bonds2

About 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid

2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid (PubChem CID 72775330) has the molecular formula C8H7ClO4 and a molecular weight of 202.59 g/mol. Its IUPAC name is 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid.

Molecular Properties

Compound Name2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
PubChem CID72775330
Molecular FormulaC8H7ClO4
Molecular Weight202.59 g/mol
Exact Mass202.00
IUPAC Name2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid
SMILESO=C(O)C(O)c1cc(O)cc(Cl)c1
InChIInChI=1S/C8H7ClO4/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,10-11H,(H,12,13)
InChIKeyZOKKYZSRKMYFDZ-UHFFFAOYSA-N
XLogP1.16
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.59
LogP ≤ 51.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic 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-(3,5-dihydroxyphenyl)-2-hydroxyacetic acid
CID 23345991
(2S)-2-(3-chloro-5-fluorooxyphenyl)-2-hydroxyacetic acid
CID 11183620
2-(3-chloro-5-ethylphenyl)-2-hydroxyacetic acid
CID 117305915
2-[3-chloro-5-(methylamino)phenyl]-2-hydroxyacetic acid;molecular iodine
CID 162022992
2-(3-ethyl-5-hydroxyphenyl)-2-hydroxyacetic acid
CID 117286015
2-[3-chloro-5-(difluoromethoxy)phenyl]-2-hydroxyacetic acid;ethane
CID 143058060
2-[3-chloro-5-(3-chloropropanoyl)phenyl]-2-hydroxyacetic acid
CID 134656340
2-hydroxy-2-(3,4,5-trihydroxyphenyl)acetic acid
CID 45092881
(2S)-2-(4-chlorophenyl)-2-hydroxyacetic acid
CID 785083
2-(3,5-dichloro-4-fluorophenyl)-2-hydroxyacetic acid
CID 117349950
2-hydroxy-2-[3-hydroxy-5-(3-oxopropyl)phenyl]acetic acid
CID 134657253
(2R)-2-(3,5-dimethylphenyl)-2-hydroxyacetic acid
CID 57035958

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid?
The IUPAC name of 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid (CID 72775330) is 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid.
What is the SMILES notation for 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid?
The canonical SMILES for 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid is O=C(O)C(O)c1cc(O)cc(Cl)c1.
What is the InChIKey of 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid?
The InChIKey is ZOKKYZSRKMYFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClO4/c9-5-1-4(2-6(10)3-5)7(11)8(12)13/h1-3,7,10-11H,(H,12,13).
What are the key properties of 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid?
2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid has a molecular weight of 202.59 g/mol, XLogP of 1.16, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-hydroxyphenyl)-2-hydroxyacetic acid is sourced from PubChem (CID 72775330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).