4-(3-chlorophenyl)-3-hydroxybenzoic acid

C13H9ClO3 — CID 53225819

IUPAC4-(3-chlorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C13H9ClO3/c14-10-3-1-2-8(6-10)11-5-4-9(13(16)17)7-12(11)15/h1-7,15H,(H,16,17)
InChIKeyMQXBOEJTNXHCLH-UHFFFAOYSA-N
MW248.67 g/mol
LogP3.41
Rot. Bonds2

About 4-(3-chlorophenyl)-3-hydroxybenzoic acid

4-(3-chlorophenyl)-3-hydroxybenzoic acid (PubChem CID 53225819) has the molecular formula C13H9ClO3 and a molecular weight of 248.67 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-3-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3-chlorophenyl)-3-hydroxybenzoic acid
PubChem CID53225819
Molecular FormulaC13H9ClO3
Molecular Weight248.67 g/mol
Exact Mass248.02
IUPAC Name4-(3-chlorophenyl)-3-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2cccc(Cl)c2)c(O)c1
InChIInChI=1S/C13H9ClO3/c14-10-3-1-2-8(6-10)11-5-4-9(13(16)17)7-12(11)15/h1-7,15H,(H,16,17)
InChIKeyMQXBOEJTNXHCLH-UHFFFAOYSA-N
XLogP3.41
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-4-[3-(methylcarbamoyl)phenyl]benzoic acid
CID 53227053
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
3-(2-hydroxyphenyl)benzoic acid;hydrochloride
CID 174448662
3-(3-chlorophenyl)-1-methylindole-6-carboxylic acid
CID 170838816
benzoic acid;3-chlorobenzoic acid
CID 162034638
6-(3-chlorophenyl)pyridine-3-carboxylic acid
CID 24729969
2-(3-chlorophenyl)-5-fluorobenzoic acid
CID 53211695
3-[2-hydroxy-4-(trifluoromethoxy)phenyl]benzoic acid
CID 171115617
3-chloro-4-(3,5-dichlorophenyl)benzoic acid
CID 114879100
4-(4-chloro-3-methoxycarbonylphenyl)-3-hydroxybenzoic acid
CID 53228498
benzene;3,4-dihydroxybenzoic acid
CID 175073097
1-chloro-3-(2-phenylphenyl)benzene
CID 69293962

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-3-hydroxybenzoic acid?
The IUPAC name of 4-(3-chlorophenyl)-3-hydroxybenzoic acid (CID 53225819) is 4-(3-chlorophenyl)-3-hydroxybenzoic acid.
What is the SMILES notation for 4-(3-chlorophenyl)-3-hydroxybenzoic acid?
The canonical SMILES for 4-(3-chlorophenyl)-3-hydroxybenzoic acid is O=C(O)c1ccc(-c2cccc(Cl)c2)c(O)c1.
What is the InChIKey of 4-(3-chlorophenyl)-3-hydroxybenzoic acid?
The InChIKey is MQXBOEJTNXHCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-10-3-1-2-8(6-10)11-5-4-9(13(16)17)7-12(11)15/h1-7,15H,(H,16,17).
What are the key properties of 4-(3-chlorophenyl)-3-hydroxybenzoic acid?
4-(3-chlorophenyl)-3-hydroxybenzoic acid has a molecular weight of 248.67 g/mol, XLogP of 3.41, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-3-hydroxybenzoic acid is sourced from PubChem (CID 53225819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).