1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid

C13H15FO3 — CID 117348913

IUPAC1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(CO)ccc2F)CCCC1
InChIInChI=1S/C13H15FO3/c14-11-4-3-9(8-15)7-10(11)13(12(16)17)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,16,17)
InChIKeyVRNIOLQJHNDWCV-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.21
Rot. Bonds3

About 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid

1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid (PubChem CID 117348913) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
PubChem CID117348913
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2cc(CO)ccc2F)CCCC1
InChIInChI=1S/C13H15FO3/c14-11-4-3-9(8-15)7-10(11)13(12(16)17)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,16,17)
InChIKeyVRNIOLQJHNDWCV-UHFFFAOYSA-N
XLogP2.21
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117383760
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclohexane-1-carboxylic acid
CID 117419802
1-[2-fluoro-5-(methoxymethyl)phenyl]cyclopropane-1-carboxylic acid
CID 117321555
[3-(1-aminocyclopentyl)-4-fluorophenyl]methanol
CID 117298948
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
1-(4-chloro-2-fluorophenyl)cyclobutane-1-carboxylic acid
CID 83412485
1-(4-chloro-2,5-difluorophenyl)cyclohexane-1-carboxylic acid
CID 117439170
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 117438016
1-(2,3,6-trifluorophenyl)cyclopentane-1-carboxylic acid
CID 83412127
1-[1-(2,5-difluorophenyl)cyclopentyl]ethanone
CID 117046742
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630
1-[2-hydroxy-3-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117344777

Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid (CID 117348913) is 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid is O=C(O)C1(c2cc(CO)ccc2F)CCCC1.
What is the InChIKey of 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid?
The InChIKey is VRNIOLQJHNDWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c14-11-4-3-9(8-15)7-10(11)13(12(16)17)5-1-2-6-13/h3-4,7,15H,1-2,5-6,8H2,(H,16,17).
What are the key properties of 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid?
1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-5-(hydroxymethyl)phenyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 117348913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).