(E)-2-cyclopentyl-5-phenylpent-4-enoic acid

C16H20O2 — CID 112569291

IUPAC(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
SMILESO=C(O)C(C/C=C/c1ccccc1)C1CCCC1
InChIInChI=1S/C16H20O2/c17-16(18)15(14-10-4-5-11-14)12-6-9-13-7-2-1-3-8-13/h1-3,6-9,14-15H,4-5,10-12H2,(H,17,18)/b9-6+
InChIKeyHQXOKAWLVWFURK-RMKNXTFCSA-N
MW244.33 g/mol
LogP3.98
Rot. Bonds5

About (E)-2-cyclopentyl-5-phenylpent-4-enoic acid

(E)-2-cyclopentyl-5-phenylpent-4-enoic acid (PubChem CID 112569291) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is (E)-2-cyclopentyl-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
PubChem CID112569291
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
SMILESO=C(O)C(C/C=C/c1ccccc1)C1CCCC1
InChIInChI=1S/C16H20O2/c17-16(18)15(14-10-4-5-11-14)12-6-9-13-7-2-1-3-8-13/h1-3,6-9,14-15H,4-5,10-12H2,(H,17,18)/b9-6+
InChIKeyHQXOKAWLVWFURK-RMKNXTFCSA-N
XLogP3.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2-ethenyl-5-phenylpent-4-enoic acid
CID 101258339
2-cyclohexyl-3-(2-methylphenoxy)propanoic acid
CID 117246033
2-cyclobutyl-3-(2-hydroxyphenoxy)propanoic acid
CID 117245713
(E,4R,5S)-5-cyclohexyl-5-hydroxy-4-methyl-1-phenylpent-1-en-3-one
CID 11459971
N-cyclohexyl-4-(3-phenylprop-2-enyl)piperazin-4-ium-1-carboxamide
CID 3564830
[(E)-3-cyclohexylprop-1-enyl]benzene
CID 22325167
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
2-(oxan-3-yl)-2-[[(E)-5-phenylpent-4-enoyl]amino]acetic acid
CID 120548857
(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
CID 104681285
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
[(E)-4,4-bis(trifluoromethylsulfonyl)but-1-enyl]benzene
CID 102192017
2-cyclopentyl-3-(3,4-dihydro-1H-isochromen-1-yl)propanoic acid
CID 115926238

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyclopentyl-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-2-cyclopentyl-5-phenylpent-4-enoic acid (CID 112569291) is (E)-2-cyclopentyl-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-2-cyclopentyl-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-2-cyclopentyl-5-phenylpent-4-enoic acid is O=C(O)C(C/C=C/c1ccccc1)C1CCCC1.
What is the InChIKey of (E)-2-cyclopentyl-5-phenylpent-4-enoic acid?
The InChIKey is HQXOKAWLVWFURK-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H20O2/c17-16(18)15(14-10-4-5-11-14)12-6-9-13-7-2-1-3-8-13/h1-3,6-9,14-15H,4-5,10-12H2,(H,17,18)/b9-6+.
What are the key properties of (E)-2-cyclopentyl-5-phenylpent-4-enoic acid?
(E)-2-cyclopentyl-5-phenylpent-4-enoic acid has a molecular weight of 244.33 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 (E)-2-cyclopentyl-5-phenylpent-4-enoic acid is sourced from PubChem (CID 112569291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).