2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid

C15H20O2 — CID 82082492

IUPAC2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-5-6-13(12(2)9-11)15(10-14(16)17)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyNJSOPLSZXJGOTI-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.59
Rot. Bonds3

About 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid

2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid (PubChem CID 82082492) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
PubChem CID82082492
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
SMILESCc1ccc(C2(CC(=O)O)CCCC2)c(C)c1
InChIInChI=1S/C15H20O2/c1-11-5-6-13(12(2)9-11)15(10-14(16)17)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)
InChIKeyNJSOPLSZXJGOTI-UHFFFAOYSA-N
XLogP3.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[1-(4-chloro-2-methylphenyl)cyclopropyl]acetic acid
CID 84789847
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
CID 82289741
3-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl-methylamino]propanoic acid
CID 122015595
2-[1-(5-bromo-2,4-dimethylphenyl)cyclopropyl]acetic acid
CID 84812580
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(4-fluoro-2,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84788583
1-[[1-(2,4-dimethylphenyl)cyclopentyl]methylcarbamoyl]piperidine-4-carboxylic acid
CID 122015594
2-[1-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(5-fluoro-2-methylphenyl)cyclopropyl]acetic acid
CID 84780127

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid (CID 82082492) is 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid is Cc1ccc(C2(CC(=O)O)CCCC2)c(C)c1.
What is the InChIKey of 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid?
The InChIKey is NJSOPLSZXJGOTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-5-6-13(12(2)9-11)15(10-14(16)17)7-3-4-8-15/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid?
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid has a molecular weight of 232.32 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 82082492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).