1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid

C13H14O2 — CID 65353598

IUPAC1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)CC=CC2)c1
InChIInChI=1S/C13H14O2/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyVYJIMTVXNCUZDV-UHFFFAOYSA-N
MW202.25 g/mol
LogP2.67
Rot. Bonds2

About 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid

1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid (PubChem CID 65353598) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
PubChem CID65353598
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid
SMILESCc1cccc(C2(C(=O)O)CC=CC2)c1
InChIInChI=1S/C13H14O2/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15)
InChIKeyVYJIMTVXNCUZDV-UHFFFAOYSA-N
XLogP2.67
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid (CID 65353598) is 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid is Cc1cccc(C2(C(=O)O)CC=CC2)c1.
What is the InChIKey of 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid?
The InChIKey is VYJIMTVXNCUZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O2/c1-10-5-4-6-11(9-10)13(12(14)15)7-2-3-8-13/h2-6,9H,7-8H2,1H3,(H,14,15).
What are the key properties of 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid?
1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid has a molecular weight of 202.25 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)cyclopent-3-ene-1-carboxylic acid is sourced from PubChem (CID 65353598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).