1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid

C12H13FO3 — CID 82617664

IUPAC1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(F)c2)CCCC1
InChIInChI=1S/C12H13FO3/c13-9-7-8(3-4-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7,14H,1-2,5-6H2,(H,15,16)
InChIKeyPIOFZUSCIOYPSX-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.43
Rot. Bonds2

About 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid

1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 82617664) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID82617664
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(O)c(F)c2)CCCC1
InChIInChI=1S/C12H13FO3/c13-9-7-8(3-4-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7,14H,1-2,5-6H2,(H,15,16)
InChIKeyPIOFZUSCIOYPSX-UHFFFAOYSA-N
XLogP2.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclopentane-1-carboxylic acid
CID 117437895
1-(4-fluoro-3-phenylphenyl)cyclopentane-1-carboxylic acid
CID 117457844
1-(3,5-difluoro-4-hydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117393695
1-(3-fluoro-4-methylsulfanylphenyl)cyclobutane-1-carboxylic acid
CID 84800517
1-[4-fluoro-3-(2-fluorophenyl)phenyl]cyclobutane-1-carboxylic acid
CID 117465606
1-(3-hydroxy-4-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117384299
1-[4-hydroxy-3-(trifluoromethyl)phenyl]cyclobutane-1-carboxylic acid
CID 117404247
1-[3-(difluoromethyl)-4-hydroxyphenyl]cyclobutane-1-carboxylic acid
CID 117357152
1-[4-(difluoromethyl)-3-fluorophenyl]cyclobutane-1-carboxylic acid
CID 117361935
1-(3-fluoro-4-pentan-3-ylphenyl)cyclopentane-1-carboxylic acid
CID 117446490
1-(4-cyclopropylsulfonyl-3-fluorophenyl)cyclopentane-1-carboxylic acid
CID 117497632
1-(4-fluoro-2,5-dihydroxyphenyl)cyclohexane-1-carboxylic acid
CID 117388630

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid (CID 82617664) is 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid is O=C(O)C1(c2ccc(O)c(F)c2)CCCC1.
What is the InChIKey of 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is PIOFZUSCIOYPSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c13-9-7-8(3-4-10(9)14)12(11(15)16)5-1-2-6-12/h3-4,7,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid?
1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 224.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-hydroxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82617664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).