(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid

C15H18O2 — CID 82081825

IUPAC(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C(=C/C(=O)O)C1CCCC1
InChIInChI=1S/C15H18O2/c1-11-6-2-5-9-13(11)14(10-15(16)17)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,16,17)/b14-10+
InChIKeyJVFXEHFXNRMSAH-GXDHUFHOSA-N
MW230.31 g/mol
LogP3.65
Rot. Bonds3

About (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid

(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid (PubChem CID 82081825) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid
PubChem CID82081825
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid
SMILESCc1ccccc1/C(=C/C(=O)O)C1CCCC1
InChIInChI=1S/C15H18O2/c1-11-6-2-5-9-13(11)14(10-15(16)17)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,16,17)/b14-10+
InChIKeyJVFXEHFXNRMSAH-GXDHUFHOSA-N
XLogP3.65
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 ≤ 53.65
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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Related Compounds

(Z)-3-cyclopropyl-3-(2-hydroxyphenyl)prop-2-enoic acid
CID 115023312
(E)-3-cyclopropyl-3-(2,4-dimethylphenyl)prop-2-enoic acid
CID 82048785
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(E)-3-cyclopentyl-3-(1H-indol-3-yl)prop-2-enoic acid
CID 82299218
(E)-3-cyclobutyl-3-(1-methylindol-3-yl)prop-2-enoic acid
CID 82277342
(E)-3-cyclopentyl-3-(2-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82305589
(E)-3-cyclopropyl-3-(7-methyl-1H-indol-3-yl)prop-2-enoic acid
CID 82277818
(E)-3-cyclopropyl-1-(2-methylphenyl)but-2-en-1-one
CID 162418317
(2-cyclohexylphenyl)-(2-methylphenyl)methanone
CID 86030332
cis-(1R,2S)-2-(2-methylbenzoyl)cyclohexane-1-carboxylic acid
CID 24722414
(E)-3-(1-benzofuran-2-yl)-3-cyclopentylprop-2-enoic acid
CID 82275123
(E)-3-cyclohexyl-3-(3-methoxyphenyl)prop-2-enoic acid
CID 82090151

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid?
The IUPAC name of (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid (CID 82081825) is (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid.
What is the SMILES notation for (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid?
The canonical SMILES for (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid is Cc1ccccc1/C(=C/C(=O)O)C1CCCC1.
What is the InChIKey of (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid?
The InChIKey is JVFXEHFXNRMSAH-GXDHUFHOSA-N. The full InChI is InChI=1S/C15H18O2/c1-11-6-2-5-9-13(11)14(10-15(16)17)12-7-3-4-8-12/h2,5-6,9-10,12H,3-4,7-8H2,1H3,(H,16,17)/b14-10+.
What are the key properties of (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid?
(E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid has a molecular weight of 230.31 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopentyl-3-(2-methylphenyl)prop-2-enoic acid is sourced from PubChem (CID 82081825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).