(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid

C17H14O2 — CID 56927311

IUPAC(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H,(H,18,19)/b12-11+,16-13-
InChIKeyJRUKRTFXFXDRIP-SSLWBDRLSA-N
MW250.30 g/mol
LogP3.87
Rot. Bonds4

About (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid

(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid (PubChem CID 56927311) has the molecular formula C17H14O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid.

Molecular Properties

Compound Name(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
PubChem CID56927311
Molecular FormulaC17H14O2
Molecular Weight250.30 g/mol
Exact Mass250.10
IUPAC Name(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
SMILESO=C(O)/C=C/C(=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H14O2/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H,(H,18,19)/b12-11+,16-13-
InChIKeyJRUKRTFXFXDRIP-SSLWBDRLSA-N
XLogP3.87
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.87
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'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

(2E,4E)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927310
4,5-diphenylpenta-2,4-dienoyl chloride
CID 54542291
4,5-diphenylpenta-2,4-dienal
CID 54539333
(2E,4Z)-4,5-diphenylpenta-2,4-dienoyl azide
CID 56927308
tert-butyl (2E,4Z)-4,5-diphenylpenta-2,4-dienoate
CID 56653095
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
4-hydroxy-5-phenylpenta-2,4-dienoic acid;styrene
CID 158962014
λ2-plumbane;4-oxo-4-phenylbut-2-enoic acid
CID 173413891
(Z)-but-2-enedioic acid;styrene
CID 67731875
diphenylmethanone;(E)-3-phenylprop-2-enoic acid
CID 70019468
(Z)-but-2-enedioic acid;toluene;hydrochloride
CID 174592168
(Z)-3-phenylprop-2-enoic acid
CID 5372954

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid?
The IUPAC name of (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid (CID 56927311) is (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid.
What is the SMILES notation for (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid?
The canonical SMILES for (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid is O=C(O)/C=C/C(=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid?
The InChIKey is JRUKRTFXFXDRIP-SSLWBDRLSA-N. The full InChI is InChI=1S/C17H14O2/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H,(H,18,19)/b12-11+,16-13-.
What are the key properties of (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid?
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid has a molecular weight of 250.30 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid is sourced from PubChem (CID 56927311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).