3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid

C15H18O2 — CID 66902963

IUPAC3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1cccc(C2CCCC2)c1)C(=O)O
InChIInChI=1S/C15H18O2/c1-11(15(16)17)9-12-5-4-8-14(10-12)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCTGAMSVMYRUCKR-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.83
Rot. Bonds3

About 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid

3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid (PubChem CID 66902963) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid.

Molecular Properties

Compound Name3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
PubChem CID66902963
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid
SMILESCC(=Cc1cccc(C2CCCC2)c1)C(=O)O
InChIInChI=1S/C15H18O2/c1-11(15(16)17)9-12-5-4-8-14(10-12)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,16,17)
InChIKeyCTGAMSVMYRUCKR-UHFFFAOYSA-N
XLogP3.83
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid?
The IUPAC name of 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid (CID 66902963) is 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid.
What is the SMILES notation for 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid?
The canonical SMILES for 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid is CC(=Cc1cccc(C2CCCC2)c1)C(=O)O.
What is the InChIKey of 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid?
The InChIKey is CTGAMSVMYRUCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(15(16)17)9-12-5-4-8-14(10-12)13-6-2-3-7-13/h4-5,8-10,13H,2-3,6-7H2,1H3,(H,16,17).
What are the key properties of 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid?
3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopentylphenyl)-2-methylprop-2-enoic acid is sourced from PubChem (CID 66902963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).