(2Z,4E)-3-phenylhexa-2,4-dienoic acid

C12H12O2 — CID 10397589

IUPAC(2Z,4E)-3-phenylhexa-2,4-dienoic acid
SMILESC/C=C/C(=C/C(=O)O)c1ccccc1
InChIInChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h2-9H,1H3,(H,13,14)/b6-2+,11-9-
InChIKeyAAGKPJCACLGJMK-QXBMDZOZSA-N
MW188.23 g/mol
LogP2.73
Rot. Bonds3

About (2Z,4E)-3-phenylhexa-2,4-dienoic acid

(2Z,4E)-3-phenylhexa-2,4-dienoic acid (PubChem CID 10397589) has the molecular formula C12H12O2 and a molecular weight of 188.23 g/mol. Its IUPAC name is (2Z,4E)-3-phenylhexa-2,4-dienoic acid.

Molecular Properties

Compound Name(2Z,4E)-3-phenylhexa-2,4-dienoic acid
PubChem CID10397589
Molecular FormulaC12H12O2
Molecular Weight188.23 g/mol
Exact Mass188.08
IUPAC Name(2Z,4E)-3-phenylhexa-2,4-dienoic acid
SMILESC/C=C/C(=C/C(=O)O)c1ccccc1
InChIInChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h2-9H,1H3,(H,13,14)/b6-2+,11-9-
InChIKeyAAGKPJCACLGJMK-QXBMDZOZSA-N
XLogP2.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;[(3E,5Z)-4-phenylhepta-1,3,5-trien-2-yl]benzene
CID 145063911
(2E,4E)-5-(3,4-dichlorophenyl)-3-phenylpenta-2,4-dienoic acid
CID 18419397
methyl (2E,4E)-3,5-diphenylpenta-2,4-dienoate
CID 134940944
dimethyl (2E,4E)-3-phenylhexa-2,4-dienedioate
CID 132558709
(2E,4Z)-2-methyl-4-phenylhexa-2,4-dienoic acid
CID 170872983
but-2-enoic acid;triphenylphosphanium
CID 161480622
(2E,4E,5Z)-4-ethylidene-1-phenylhepta-2,5-dien-1-one
CID 143297607
(E)-3-benzhydrylidenehex-4-en-2-one
CID 101384989
[(E)-but-2-enoyl] benzoate
CID 87397529
(2E,4E,7E,9Z)-5-ethenyl-6-methylidene-8-phenylundeca-2,4,7,9-tetraene-3-thiol
CID 170266079
2-phenylbut-2-enal;hydrate
CID 172778769
(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-3-phenylhexa-2,4-dienoic acid?
The IUPAC name of (2Z,4E)-3-phenylhexa-2,4-dienoic acid (CID 10397589) is (2Z,4E)-3-phenylhexa-2,4-dienoic acid.
What is the SMILES notation for (2Z,4E)-3-phenylhexa-2,4-dienoic acid?
The canonical SMILES for (2Z,4E)-3-phenylhexa-2,4-dienoic acid is C/C=C/C(=C/C(=O)O)c1ccccc1.
What is the InChIKey of (2Z,4E)-3-phenylhexa-2,4-dienoic acid?
The InChIKey is AAGKPJCACLGJMK-QXBMDZOZSA-N. The full InChI is InChI=1S/C12H12O2/c1-2-6-11(9-12(13)14)10-7-4-3-5-8-10/h2-9H,1H3,(H,13,14)/b6-2+,11-9-.
What are the key properties of (2Z,4E)-3-phenylhexa-2,4-dienoic acid?
(2Z,4E)-3-phenylhexa-2,4-dienoic acid has a molecular weight of 188.23 g/mol, XLogP of 2.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-3-phenylhexa-2,4-dienoic acid is sourced from PubChem (CID 10397589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).