2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid

C14H17FO3 — CID 82087894

IUPAC2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H17FO3/c1-18-12-5-4-10(8-11(12)15)14(9-13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyOYMXOPMVCBOTTB-UHFFFAOYSA-N
MW252.28 g/mol
LogP3.12
Rot. Bonds4

About 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid

2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid (PubChem CID 82087894) has the molecular formula C14H17FO3 and a molecular weight of 252.28 g/mol. Its IUPAC name is 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
PubChem CID82087894
Molecular FormulaC14H17FO3
Molecular Weight252.28 g/mol
Exact Mass252.12
IUPAC Name2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid
SMILESCOc1ccc(C2(CC(=O)O)CCCC2)cc1F
InChIInChI=1S/C14H17FO3/c1-18-12-5-4-10(8-11(12)15)14(9-13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyOYMXOPMVCBOTTB-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-methoxy-3-methylsulfanylphenyl)cyclopropyl]acetic acid
CID 117384277
[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]methanesulfonyl chloride
CID 98663701
[1-(3-fluoro-4-methoxyphenyl)cyclobutyl]methanamine
CID 131328420
2-fluoro-4-[1-(isocyanatomethyl)cyclopentyl]-1-methoxybenzene
CID 82087098
1-[1-(3-fluoro-4-methoxyphenyl)cyclohexyl]ethanone
CID 82297467
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(4-methoxy-3-phenylphenyl)cyclopropyl]acetic acid
CID 117453777
2-[1-[(3-fluoro-4-methoxybenzoyl)amino]cyclopentyl]acetic acid
CID 64672188
2-[1-(4-cyclopentyloxy-3-methoxyphenyl)cyclopropyl]acetic acid
CID 117469213
1-[1-(3-fluoro-4-methoxyphenyl)cyclopropyl]ethanone
CID 82283649
[1-(3,4-dimethoxyphenyl)cyclopentyl]methanol
CID 13128207
2-[1-[[(3-fluoro-4-methoxybenzoyl)amino]methyl]cyclobutyl]acetic acid
CID 81164326

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid (CID 82087894) is 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid is COc1ccc(C2(CC(=O)O)CCCC2)cc1F.
What is the InChIKey of 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid?
The InChIKey is OYMXOPMVCBOTTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO3/c1-18-12-5-4-10(8-11(12)15)14(9-13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17).
What are the key properties of 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid?
2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid has a molecular weight of 252.28 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-fluoro-4-methoxyphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 82087894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).