4-(2-cyclopropylpent-1-enyl)benzoic acid

C15H18O2 — CID 70135228

IUPAC4-(2-cyclopropylpent-1-enyl)benzoic acid
SMILESCCCC(=Cc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C15H18O2/c1-2-3-14(12-8-9-12)10-11-4-6-13(7-5-11)15(16)17/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyDUTNENFCAGYSFA-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.98
Rot. Bonds5

About 4-(2-cyclopropylpent-1-enyl)benzoic acid

4-(2-cyclopropylpent-1-enyl)benzoic acid (PubChem CID 70135228) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 4-(2-cyclopropylpent-1-enyl)benzoic acid.

Molecular Properties

Compound Name4-(2-cyclopropylpent-1-enyl)benzoic acid
PubChem CID70135228
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name4-(2-cyclopropylpent-1-enyl)benzoic acid
SMILESCCCC(=Cc1ccc(C(=O)O)cc1)C1CC1
InChIInChI=1S/C15H18O2/c1-2-3-14(12-8-9-12)10-11-4-6-13(7-5-11)15(16)17/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17)
InChIKeyDUTNENFCAGYSFA-UHFFFAOYSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-(2-cyclopropylpent-1-enyl)benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(2-cyclopropylpent-1-enyl)benzoic acid?
The IUPAC name of 4-(2-cyclopropylpent-1-enyl)benzoic acid (CID 70135228) is 4-(2-cyclopropylpent-1-enyl)benzoic acid.
What is the SMILES notation for 4-(2-cyclopropylpent-1-enyl)benzoic acid?
The canonical SMILES for 4-(2-cyclopropylpent-1-enyl)benzoic acid is CCCC(=Cc1ccc(C(=O)O)cc1)C1CC1.
What is the InChIKey of 4-(2-cyclopropylpent-1-enyl)benzoic acid?
The InChIKey is DUTNENFCAGYSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-2-3-14(12-8-9-12)10-11-4-6-13(7-5-11)15(16)17/h4-7,10,12H,2-3,8-9H2,1H3,(H,16,17).
What are the key properties of 4-(2-cyclopropylpent-1-enyl)benzoic acid?
4-(2-cyclopropylpent-1-enyl)benzoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-cyclopropylpent-1-enyl)benzoic acid is sourced from PubChem (CID 70135228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).