2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid

C13H15FO3 — CID 81009100

IUPAC2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2CCCC2C(=O)O)cc1F
InChIInChI=1S/C13H15FO3/c1-17-12-6-5-8(7-11(12)14)9-3-2-4-10(9)13(15)16/h5-7,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyNFAHLRLUBVRUIA-UHFFFAOYSA-N
MW238.26 g/mol
LogP2.80
Rot. Bonds3

About 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid

2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid (PubChem CID 81009100) has the molecular formula C13H15FO3 and a molecular weight of 238.26 g/mol. Its IUPAC name is 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
PubChem CID81009100
Molecular FormulaC13H15FO3
Molecular Weight238.26 g/mol
Exact Mass238.10
IUPAC Name2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid
SMILESCOc1ccc(C2CCCC2C(=O)O)cc1F
InChIInChI=1S/C13H15FO3/c1-17-12-6-5-8(7-11(12)14)9-3-2-4-10(9)13(15)16/h5-7,9-10H,2-4H2,1H3,(H,15,16)
InChIKeyNFAHLRLUBVRUIA-UHFFFAOYSA-N
XLogP2.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methoxyphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020800
2-(4-chloro-3-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 81021525
2-(3-fluoro-4-methoxyphenyl)cyclopentan-1-amine
CID 62795099
2-(5-fluoro-2-methoxyphenyl)cycloheptane-1-carboxylic acid
CID 82782977
trans-(1R,2R)-2-(4-fluoro-3-methoxyphenyl)cyclopropane-1-carboxylic acid
CID 138987329
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738
2-[(3-fluoro-4-methoxyphenyl)carbamoyl]cyclohexane-1-carboxylic acid
CID 43529188
2-[(3-fluoro-4-methoxyphenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 64815928
5-(3-fluoro-4-methoxyphenyl)pyrrolidine-2-carboxylic acid
CID 112693405
2-(2-methoxy-5-methylphenyl)cycloheptane-1-carboxylic acid
CID 81008451
[2-(3-fluoro-4-methoxyphenyl)cycloheptyl]methanamine
CID 81009542
3-(3-fluoro-4-methoxyphenyl)cyclohexan-1-ol
CID 64516764

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The IUPAC name of 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid (CID 81009100) is 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid is COc1ccc(C2CCCC2C(=O)O)cc1F.
What is the InChIKey of 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
The InChIKey is NFAHLRLUBVRUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO3/c1-17-12-6-5-8(7-11(12)14)9-3-2-4-10(9)13(15)16/h5-7,9-10H,2-4H2,1H3,(H,15,16).
What are the key properties of 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid?
2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid has a molecular weight of 238.26 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoro-4-methoxyphenyl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 81009100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).