5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid

C19H19FO3 — CID 174538380

IUPAC5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid
SMILESCC1(c2cc(-c3ccccc3F)cc(C(=O)O)c2O)CCCC1
InChIInChI=1S/C19H19FO3/c1-19(8-4-5-9-19)15-11-12(10-14(17(15)21)18(22)23)13-6-2-3-7-16(13)20/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,22,23)
InChIKeyFKWKTCWGTBEZNF-UHFFFAOYSA-N
MW314.36 g/mol
LogP4.73
Rot. Bonds3

About 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid

5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid (PubChem CID 174538380) has the molecular formula C19H19FO3 and a molecular weight of 314.36 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid.

Molecular Properties

Compound Name5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid
PubChem CID174538380
Molecular FormulaC19H19FO3
Molecular Weight314.36 g/mol
Exact Mass314.13
IUPAC Name5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid
SMILESCC1(c2cc(-c3ccccc3F)cc(C(=O)O)c2O)CCCC1
InChIInChI=1S/C19H19FO3/c1-19(8-4-5-9-19)15-11-12(10-14(17(15)21)18(22)23)13-6-2-3-7-16(13)20/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,22,23)
InChIKeyFKWKTCWGTBEZNF-UHFFFAOYSA-N
XLogP4.73
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-fluorophenyl)phthalic acid
CID 71119653
2-[3,5-bis(2-carboxyphenyl)phenyl]benzoic acid
CID 21428532
2,6-difluoro-4-(2-fluorophenyl)benzoic acid
CID 46312128
4-[4-hydroxy-3-(1-methylcyclohexyl)phenyl]benzoic acid
CID 139839146
2-[3-benzoyl-4-hydroxy-5-(1-methylcyclohexyl)phenoxy]acetic acid
CID 139839008
5-(2-fluorophenyl)-2-(trifluoromethyl)benzoic acid
CID 46314102
4-fluoro-2-(2-fluorophenyl)benzoic acid
CID 46312310
4-[3-(2-fluorophenyl)-5,5,8,8-tetramethyl-6,7-dihydronaphthalene-2-carbonyl]benzoic acid
CID 143004634
6-(2-fluorophenyl)-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 19036887
4-(2-acetylphenyl)-2-fluorobenzoic acid
CID 70699728
2-hydroxy-5-(2-methylphenyl)benzoic acid
CID 4192838
2-[5-(1-methylcyclopentyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81444364

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid?
The IUPAC name of 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid (CID 174538380) is 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid.
What is the SMILES notation for 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid?
The canonical SMILES for 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid is CC1(c2cc(-c3ccccc3F)cc(C(=O)O)c2O)CCCC1.
What is the InChIKey of 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid?
The InChIKey is FKWKTCWGTBEZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO3/c1-19(8-4-5-9-19)15-11-12(10-14(17(15)21)18(22)23)13-6-2-3-7-16(13)20/h2-3,6-7,10-11,21H,4-5,8-9H2,1H3,(H,22,23).
What are the key properties of 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid?
5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid has a molecular weight of 314.36 g/mol, XLogP of 4.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-2-hydroxy-3-(1-methylcyclopentyl)benzoic acid is sourced from PubChem (CID 174538380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).