3-chloro-5-(3-hydroxyphenyl)benzoic acid

C13H9ClO3 — CID 53224975

IUPAC3-chloro-5-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C13H9ClO3/c14-11-5-9(4-10(6-11)13(16)17)8-2-1-3-12(15)7-8/h1-7,15H,(H,16,17)
InChIKeyWEUUNPIPJPPYLR-UHFFFAOYSA-N
MW248.66 g/mol
LogP3.41
Rot. Bonds2

About 3-chloro-5-(3-hydroxyphenyl)benzoic acid

3-chloro-5-(3-hydroxyphenyl)benzoic acid (PubChem CID 53224975) has the molecular formula C13H9ClO3 and a molecular weight of 248.66 g/mol. Its IUPAC name is 3-chloro-5-(3-hydroxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-(3-hydroxyphenyl)benzoic acid
PubChem CID53224975
Molecular FormulaC13H9ClO3
Molecular Weight248.66 g/mol
Exact Mass248.02
IUPAC Name3-chloro-5-(3-hydroxyphenyl)benzoic acid
SMILESO=C(O)c1cc(Cl)cc(-c2cccc(O)c2)c1
InChIInChI=1S/C13H9ClO3/c14-11-5-9(4-10(6-11)13(16)17)8-2-1-3-12(15)7-8/h1-7,15H,(H,16,17)
InChIKeyWEUUNPIPJPPYLR-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 ≤ 500248.66
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3-carboxy-5-chlorophenyl)benzene-1,3-dicarboxylic acid
CID 53228361
3-chloro-5-(3-methoxyphenyl)benzoic acid
CID 53225426
3-chloro-5-(3-methylsulfanylphenyl)benzoic acid
CID 53226408
3-(3-hydroxyphenyl)-5-nitrobenzoic acid
CID 53224979
3-chloro-5-naphthalen-2-ylbenzoic acid
CID 53226810
3-(3-chlorophenyl)phenol;ethane
CID 142088616
3-chloro-5-(2-fluorophenyl)benzoic acid
CID 46314465
3-(3-chloro-5-hydroxyphenyl)-N,N-dimethylbenzamide
CID 53221465
3-(4-chlorophenyl)benzoic acid
CID 2757419
4-(3-hydroxyphenyl)-1H-pyrrole-2-carboxylic acid
CID 84671303
3-[3,5-bis(3-hydroxyphenyl)phenyl]phenol
CID 14911479
3-(4-chlorophenyl)phenol
CID 3015395

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(3-hydroxyphenyl)benzoic acid?
The IUPAC name of 3-chloro-5-(3-hydroxyphenyl)benzoic acid (CID 53224975) is 3-chloro-5-(3-hydroxyphenyl)benzoic acid.
What is the SMILES notation for 3-chloro-5-(3-hydroxyphenyl)benzoic acid?
The canonical SMILES for 3-chloro-5-(3-hydroxyphenyl)benzoic acid is O=C(O)c1cc(Cl)cc(-c2cccc(O)c2)c1.
What is the InChIKey of 3-chloro-5-(3-hydroxyphenyl)benzoic acid?
The InChIKey is WEUUNPIPJPPYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO3/c14-11-5-9(4-10(6-11)13(16)17)8-2-1-3-12(15)7-8/h1-7,15H,(H,16,17).
What are the key properties of 3-chloro-5-(3-hydroxyphenyl)benzoic acid?
3-chloro-5-(3-hydroxyphenyl)benzoic acid has a molecular weight of 248.66 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 3-chloro-5-(3-hydroxyphenyl)benzoic acid is sourced from PubChem (CID 53224975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).