2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid

C15H20O2 — CID 82289741

IUPAC2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
SMILESCc1cccc(C2(CC(=O)O)CCCC2)c1C
InChIInChI=1S/C15H20O2/c1-11-6-5-7-13(12(11)2)15(10-14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyVSKYPHMZRDAYKC-UHFFFAOYSA-N
MW232.32 g/mol
LogP3.59
Rot. Bonds3

About 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid

2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid (PubChem CID 82289741) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
PubChem CID82289741
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid
SMILESCc1cccc(C2(CC(=O)O)CCCC2)c1C
InChIInChI=1S/C15H20O2/c1-11-6-5-7-13(12(11)2)15(10-14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17)
InChIKeyVSKYPHMZRDAYKC-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-(2,3-dimethylphenyl)cyclopropyl]acetic acid
CID 84777910
2-[1-(2-methylphenyl)cyclobutyl]acetic acid
CID 83687028
2-[1-(2,4-dimethylphenyl)cyclopentyl]acetic acid
CID 82082492
2-[1-(7-methyl-2,3-dihydro-1H-inden-4-yl)cyclopropyl]acetic acid
CID 117332749
3-[1-(carboxymethyl)cyclopropyl]-4,5-dimethylbenzoic acid
CID 117373292
2-[1-(2-methoxy-5-methylphenyl)cyclohexyl]acetic acid
CID 82090822
2-[1-(2-chloro-3,5-dimethylphenyl)cyclopropyl]acetic acid
CID 84799380
2-[1-(1,2-benzoxazol-4-yl)cyclopropyl]acetic acid
CID 84785120
2-[1-(2-fluorophenyl)cyclopropyl]acetic acid
CID 82075914
2-[1-(2,3-dimethyl-5-methylsulfonylphenyl)cyclopropyl]acetic acid
CID 117453870
2-[1-(3-tert-butyl-2-hydroxyphenyl)cyclopropyl]acetic acid
CID 117373794
2-[1-(3-chloro-2-methoxyphenyl)cyclopropyl]acetic acid
CID 84800640

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid?
The IUPAC name of 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid (CID 82289741) is 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid is Cc1cccc(C2(CC(=O)O)CCCC2)c1C.
What is the InChIKey of 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid?
The InChIKey is VSKYPHMZRDAYKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-6-5-7-13(12(11)2)15(10-14(16)17)8-3-4-9-15/h5-7H,3-4,8-10H2,1-2H3,(H,16,17).
What are the key properties of 2-[1-(2,3-dimethylphenyl)cyclopentyl]acetic acid?
2-[1-(2,3-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-(2,3-dimethylphenyl)cyclopentyl]acetic acid is sourced from PubChem (CID 82289741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).