2-ethenyl-4-phenylbut-3-enoic acid

C12H12O2 — CID 54369219

IUPAC2-ethenyl-4-phenylbut-3-enoic acid
SMILESC=CC(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H12O2/c1-2-11(12(13)14)9-8-10-6-4-3-5-7-10/h2-9,11H,1H2,(H,13,14)
InChIKeyURYYTAUNJAPXMX-UHFFFAOYSA-N
MW188.23 g/mol
LogP2.59
Rot. Bonds4

About 2-ethenyl-4-phenylbut-3-enoic acid

2-ethenyl-4-phenylbut-3-enoic acid (PubChem CID 54369219) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is 2-ethenyl-4-phenylbut-3-enoic acid.

Molecular Properties

Compound Name2-ethenyl-4-phenylbut-3-enoic acid
PubChem CID54369219
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name2-ethenyl-4-phenylbut-3-enoic acid
SMILESC=CC(C=Cc1ccccc1)C(=O)O
InChIInChI=1S/C12H12O2/c1-2-11(12(13)14)9-8-10-6-4-3-5-7-10/h2-9,11H,1H2,(H,13,14)
InChIKeyURYYTAUNJAPXMX-UHFFFAOYSA-N
XLogP2.59
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.59
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

chloroethene;2-ethenyl-4-phenylbut-3-enoic acid
CID 88778959
2-hydroxy-3-(2-phenylethenyl)butanedioic acid
CID 67880957
2-methylidene-3-(2-phenylethenyl)hepta-4,6-dienoic acid
CID 87421077
3-phenylprop-2-ene-1,1-diol
CID 54432533
(2R)-2,4-diphenylbut-3-enoic acid
CID 3246496
(E,2R)-2-ethenyl-4-phenylbut-3-en-1-ol
CID 134955286
(2S,3E,5E)-2-hydroxy-6-phenylhexa-3,5-dienoic acid
CID 102074553
sodium (E)-1-hydroxy-3-phenylprop-2-ene-1-sulfonic acid
CID 54600779
(E)-2-ethenyl-5-phenylpent-4-enoic acid
CID 101258339
(Z,2R)-4-phenylbut-3-en-2-ol
CID 11457765
2-[(E)-2-phenylethenyl]butanedioic acid
CID 23424304
3-oxo-5-phenyl-2-(2-phenylethenyl)pent-4-enoic acid
CID 91519477

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4-phenylbut-3-enoic acid?
The IUPAC name of 2-ethenyl-4-phenylbut-3-enoic acid (CID 54369219) is 2-ethenyl-4-phenylbut-3-enoic acid.
What is the SMILES notation for 2-ethenyl-4-phenylbut-3-enoic acid?
The canonical SMILES for 2-ethenyl-4-phenylbut-3-enoic acid is C=CC(C=Cc1ccccc1)C(=O)O.
What is the InChIKey of 2-ethenyl-4-phenylbut-3-enoic acid?
The InChIKey is URYYTAUNJAPXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-11(12(13)14)9-8-10-6-4-3-5-7-10/h2-9,11H,1H2,(H,13,14).
What are the key properties of 2-ethenyl-4-phenylbut-3-enoic acid?
2-ethenyl-4-phenylbut-3-enoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.59, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4-phenylbut-3-enoic acid is sourced from PubChem (CID 54369219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).