2-(3-chloro-2-hydroxybenzoyl)benzoic acid

C14H9ClO4 — CID 15932724

IUPAC2-(3-chloro-2-hydroxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc(Cl)c1O
InChIInChI=1S/C14H9ClO4/c15-11-7-3-6-10(13(11)17)12(16)8-4-1-2-5-9(8)14(18)19/h1-7,17H,(H,18,19)
InChIKeyFXOFRMRSRCWZGZ-UHFFFAOYSA-N
MW276.68 g/mol
LogP2.97
Rot. Bonds3

About 2-(3-chloro-2-hydroxybenzoyl)benzoic acid

2-(3-chloro-2-hydroxybenzoyl)benzoic acid (PubChem CID 15932724) has the molecular formula C14H9ClO4 and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-(3-chloro-2-hydroxybenzoyl)benzoic acid.

Molecular Properties

Compound Name2-(3-chloro-2-hydroxybenzoyl)benzoic acid
PubChem CID15932724
Molecular FormulaC14H9ClO4
Molecular Weight276.68 g/mol
Exact Mass276.02
IUPAC Name2-(3-chloro-2-hydroxybenzoyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)c1cccc(Cl)c1O
InChIInChI=1S/C14H9ClO4/c15-11-7-3-6-10(13(11)17)12(16)8-4-1-2-5-9(8)14(18)19/h1-7,17H,(H,18,19)
InChIKeyFXOFRMRSRCWZGZ-UHFFFAOYSA-N
XLogP2.97
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-chlorophthalic acid;phthalic acid
CID 174649164
(2-chlorophenyl)-(2,3,4-trihydroxyphenyl)methanone
CID 139940641
2-(2,4-dihydroxy-3-methylbenzoyl)benzoic acid
CID 21083111
2-chlorobenzoic acid;terbium(3+);trichloride;hydrate
CID 174885949
1,4-dichlorobenzene;phthalic acid
CID 146444395
benzene-1,2-diol;phthalic acid
CID 160861167
phthalic acid;hydrobromide
CID 71236392
CID 66717184
CID 66717184
hydron;phthalic acid
CID 67386665
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
2-(3,4-dichlorobenzoyl)benzoic acid
CID 793356
2-[(3-chloro-2-hydroxyphenyl)methylamino]benzoic acid
CID 112606376

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-hydroxybenzoyl)benzoic acid?
The IUPAC name of 2-(3-chloro-2-hydroxybenzoyl)benzoic acid (CID 15932724) is 2-(3-chloro-2-hydroxybenzoyl)benzoic acid.
What is the SMILES notation for 2-(3-chloro-2-hydroxybenzoyl)benzoic acid?
The canonical SMILES for 2-(3-chloro-2-hydroxybenzoyl)benzoic acid is O=C(O)c1ccccc1C(=O)c1cccc(Cl)c1O.
What is the InChIKey of 2-(3-chloro-2-hydroxybenzoyl)benzoic acid?
The InChIKey is FXOFRMRSRCWZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO4/c15-11-7-3-6-10(13(11)17)12(16)8-4-1-2-5-9(8)14(18)19/h1-7,17H,(H,18,19).
What are the key properties of 2-(3-chloro-2-hydroxybenzoyl)benzoic acid?
2-(3-chloro-2-hydroxybenzoyl)benzoic acid has a molecular weight of 276.68 g/mol, XLogP of 2.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-hydroxybenzoyl)benzoic acid is sourced from PubChem (CID 15932724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).