1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid

C13H15FO3 — CID 117348923

IUPAC1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(F)ccc(O)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO3/c1-8-9(14)4-5-10(15)11(8)13(12(16)17)6-2-3-7-13/h4-5,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCCVKOLBNSFKLHI-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.74
Rot. Bonds2

About 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid

1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid (PubChem CID 117348923) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
PubChem CID117348923
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
SMILESCc1c(F)ccc(O)c1C1(C(=O)O)CCCC1
InChIInChI=1S/C13H15FO3/c1-8-9(14)4-5-10(15)11(8)13(12(16)17)6-2-3-7-13/h4-5,15H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCCVKOLBNSFKLHI-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-(3-fluoro-6-hydroxy-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 117321649
1-(6-fluoro-2,3-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388633
1-(2,6-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117344540
1-(2-fluoro-6-hydroxy-3-methylphenyl)cyclopropane-1-carboxylic acid
CID 84781133
1-(2,5-difluoro-3,6-dimethylphenyl)cyclopentane-1-carboxylic acid
CID 117388765
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
4-fluoro-2-(1-hydroxycyclopropyl)-3-methylphenol
CID 117279111
1-(2,4-dihydroxy-3-methylphenyl)cyclopentane-1-carboxylic acid
CID 117344788
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
CID 82617664
1-(5-chloro-2,3-dihydroxy-6-methylphenyl)cyclopentane-1-carboxylic acid
CID 117429684
1-(2,6-difluoro-3-methoxyphenyl)cyclopentane-1-carboxylic acid
CID 117393652
1-(5-fluoro-4-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid
CID 84799147

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid (CID 117348923) is 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid is Cc1c(F)ccc(O)c1C1(C(=O)O)CCCC1.
What is the InChIKey of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is CCVKOLBNSFKLHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-8-9(14)4-5-10(15)11(8)13(12(16)17)6-2-3-7-13/h4-5,15H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 1-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid?
1-(3-fluoro-6-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-(3-fluoro-6-hydroxy-2-methylphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117348923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).