1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid

C13H15FO3 — CID 84799147

IUPAC1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(O)c(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO3/c1-8-6-11(15)10(14)7-9(8)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17)
InChIKeyDNKBSDIWYNVTTL-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.74
Rot. Bonds2

About 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid

1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 84799147) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID84799147
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1cc(O)c(F)cc1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO3/c1-8-6-11(15)10(14)7-9(8)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17)
InChIKeyDNKBSDIWYNVTTL-UHFFFAOYSA-N
XLogP2.74
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4,5-difluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117388740
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
5-(1-carboxycyclohexyl)-2-fluoro-4-methylbenzoic acid
CID 117449792
1-(2,5-dihydroxy-4-methylphenyl)cyclohexane-1-carboxylic acid
CID 117378800
1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-(4-fluoro-2,5-dihydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117302547
1-(2,4-difluoro-5-hydroxyphenyl)cyclopropane-1-carboxylic acid
CID 117304967
1-(4-fluoro-2-formyl-5-methylphenyl)cyclobutane-1-carboxylic acid
CID 117344418
1-(2-fluoro-3,4-dihydroxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 117424291
1-(4-tert-butyl-5-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117410599
1-(5-hydroxy-4-methyl-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117420301
1-(5-fluoro-3,4-dimethoxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 117453646

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid (CID 84799147) is 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid is Cc1cc(O)c(F)cc1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is DNKBSDIWYNVTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8-6-11(15)10(14)7-9(8)13(12(16)17)4-2-3-5-13/h6-7,15H,2-5H2,1H3,(H,16,17).
What are the key properties of 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 84799147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).