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

C13H14O2 — CID 101258339

IUPAC(E)-2-ethenyl-5-phenylpent-4-enoic acid
SMILESC=CC(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C13H14O2/c1-2-12(13(14)15)10-6-9-11-7-4-3-5-8-11/h2-9,12H,1,10H2,(H,14,15)/b9-6+
InChIKeyUWGVINMOJBMJGA-RMKNXTFCSA-N
MW202.25 g/mol
LogP2.98
Rot. Bonds5

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

(E)-2-ethenyl-5-phenylpent-4-enoic acid (PubChem CID 101258339) has the molecular formula C13H14O2 and a molecular weight of 202.25 g/mol. Its IUPAC name is (E)-2-ethenyl-5-phenylpent-4-enoic acid.

Molecular Properties

Compound Name(E)-2-ethenyl-5-phenylpent-4-enoic acid
PubChem CID101258339
Molecular FormulaC13H14O2
Molecular Weight202.25 g/mol
Exact Mass202.10
IUPAC Name(E)-2-ethenyl-5-phenylpent-4-enoic acid
SMILESC=CC(C/C=C/c1ccccc1)C(=O)O
InChIInChI=1S/C13H14O2/c1-2-12(13(14)15)10-6-9-11-7-4-3-5-8-11/h2-9,12H,1,10H2,(H,14,15)/b9-6+
InChIKeyUWGVINMOJBMJGA-RMKNXTFCSA-N
XLogP2.98
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-benzylbut-3-enoic acid;hydrochloride
CID 67865734
2-ethenyl-4-phenylbut-3-enoic acid
CID 54369219
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
(E)-2-cyclopentyl-5-phenylpent-4-enoic acid
CID 112569291
(E)-2-(3-aminopropyl)-5-phenylpent-4-enoic acid
CID 104681285
3-ethyl-6-phenylhex-5-en-2-one
CID 76864530
trihydroxy(3-phenylprop-2-enyl)phosphanium
CID 70142410
6-amino-2-[(E)-3-phenylprop-2-enyl]hexanoic acid
CID 104681542
4-chloropent-1-enylbenzene
CID 66808272
5-phenylpent-4-en-2-yl carbamate
CID 175428401
3-(iodoamino)-6-phenylhex-5-enoic acid
CID 154929098

Frequently Asked Questions

What is the IUPAC name of (E)-2-ethenyl-5-phenylpent-4-enoic acid?
The IUPAC name of (E)-2-ethenyl-5-phenylpent-4-enoic acid (CID 101258339) is (E)-2-ethenyl-5-phenylpent-4-enoic acid.
What is the SMILES notation for (E)-2-ethenyl-5-phenylpent-4-enoic acid?
The canonical SMILES for (E)-2-ethenyl-5-phenylpent-4-enoic acid is C=CC(C/C=C/c1ccccc1)C(=O)O.
What is the InChIKey of (E)-2-ethenyl-5-phenylpent-4-enoic acid?
The InChIKey is UWGVINMOJBMJGA-RMKNXTFCSA-N. The full InChI is InChI=1S/C13H14O2/c1-2-12(13(14)15)10-6-9-11-7-4-3-5-8-11/h2-9,12H,1,10H2,(H,14,15)/b9-6+.
What are the key properties of (E)-2-ethenyl-5-phenylpent-4-enoic acid?
(E)-2-ethenyl-5-phenylpent-4-enoic acid has a molecular weight of 202.25 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-ethenyl-5-phenylpent-4-enoic acid is sourced from PubChem (CID 101258339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).