1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid

C14H17FO2 — CID 82291603

IUPAC1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CC2(C(=O)O)CCCC2)ccc1F
InChIInChI=1S/C14H17FO2/c1-10-8-11(4-5-12(10)15)9-14(13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyTXORHZCAJIEQEM-UHFFFAOYSA-N
MW236.29 g/mol
LogP3.32
Rot. Bonds3

About 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid

1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid (PubChem CID 82291603) has the molecular formula C14H17FO2 and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
PubChem CID82291603
Molecular FormulaC14H17FO2
Molecular Weight236.29 g/mol
Exact Mass236.12
IUPAC Name1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid
SMILESCc1cc(CC2(C(=O)O)CCCC2)ccc1F
InChIInChI=1S/C14H17FO2/c1-10-8-11(4-5-12(10)15)9-14(13(16)17)6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3,(H,16,17)
InChIKeyTXORHZCAJIEQEM-UHFFFAOYSA-N
XLogP3.32
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[[(4-fluoro-3-methylphenyl)methyl-methylamino]methyl]cyclobutane-1-carboxylic acid
CID 115246561
1-[(4-chloro-3-fluorophenyl)methyl]cycloheptane-1-carboxylic acid
CID 107889012
1-[(4-chloro-3-methylphenyl)methyl]cyclopropane-1-carboxylic acid
CID 165484489
1-(5,6,7,8-tetrahydronaphthalen-2-ylmethyl)cyclopentane-1-carboxylic acid
CID 82300658
4-[(3,4-dimethylphenyl)methyl]oxane-4-carboxylic acid
CID 55132767
1-[(3-bromo-4-fluorophenyl)methyl]-4,4-dimethylcyclohexane-1-carboxylic acid
CID 65391381
1-[(4-ethylphenyl)methyl]cyclohexane-1-carboxylic acid
CID 62738855
1-[(3-fluorophenyl)methyl]cyclobutane-1-carboxylic acid
CID 65194237
1-[(3,4-dimethoxyphenyl)methyl]cyclobutane-1-carboxylic acid
CID 79424763
1-[(3-ethyl-4-methoxyphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82090827
1-[(2,4,5-trimethylphenyl)methyl]cyclopentane-1-carboxylic acid
CID 82295399
1-[(4-methoxyphenyl)methyl]cyclohexane-1-carboxylic acid
CID 22660130

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid (CID 82291603) is 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid is Cc1cc(CC2(C(=O)O)CCCC2)ccc1F.
What is the InChIKey of 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
The InChIKey is TXORHZCAJIEQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO2/c1-10-8-11(4-5-12(10)15)9-14(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 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid?
1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid has a molecular weight of 236.29 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-3-methylphenyl)methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 82291603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).