4-(3,4-difluorophenyl)-2-hydroxybenzoic acid

C13H8F2O3 — CID 53225879

IUPAC4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18)
InChIKeyPKXXFGRNOKAQEP-UHFFFAOYSA-N
MW250.20 g/mol
LogP3.04
Rot. Bonds2

About 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid

4-(3,4-difluorophenyl)-2-hydroxybenzoic acid (PubChem CID 53225879) has the molecular formula C13H8F2O3 and a molecular weight of 250.20 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
PubChem CID53225879
Molecular FormulaC13H8F2O3
Molecular Weight250.20 g/mol
Exact Mass250.04
IUPAC Name4-(3,4-difluorophenyl)-2-hydroxybenzoic acid
SMILESO=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O
InChIInChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18)
InChIKeyPKXXFGRNOKAQEP-UHFFFAOYSA-N
XLogP3.04
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.20
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-hydroxy-4-(2,4,6-trifluorophenyl)benzoic acid
CID 53226948
2-hydroxy-4-(4-methylphenyl)benzoic acid
CID 53224890
2-hydroxy-4-pyridin-4-ylbenzoic acid
CID 22710668
2-benzamido-4-(3,4-difluorophenyl)benzoic acid
CID 67342195
4,5-difluoro-2-hydroxybenzoic acid
CID 12040832
2-hydroxy-4-naphthalen-2-ylbenzoic acid
CID 53226801
4-(2,4-dichlorophenyl)-2-hydroxybenzoic acid
CID 53227675
4-(3,5-difluorophenyl)-2-fluorobenzoic acid
CID 53211091
4-(3-aminophenyl)-2-hydroxybenzoic acid
CID 53224908
2-hydroxy-4-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228258
4-(3,4-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220375
6-(3,4-difluorophenyl)-2-methylpyridine-3-carboxylic acid
CID 69038091

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The IUPAC name of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid (CID 53225879) is 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The canonical SMILES for 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid is O=C(O)c1ccc(-c2ccc(F)c(F)c2)cc1O.
What is the InChIKey of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
The InChIKey is PKXXFGRNOKAQEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2O3/c14-10-4-2-7(5-11(10)15)8-1-3-9(13(17)18)12(16)6-8/h1-6,16H,(H,17,18).
What are the key properties of 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid?
4-(3,4-difluorophenyl)-2-hydroxybenzoic acid has a molecular weight of 250.20 g/mol, XLogP of 3.04, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 53225879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).