4,5-diphenylpenta-2,4-dienoyl chloride

C17H13ClO — CID 54542291

IUPAC4,5-diphenylpenta-2,4-dienoyl chloride
SMILESO=C(Cl)C=CC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13ClO/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H
InChIKeyZEBPPRCCHKEVIQ-UHFFFAOYSA-N
MW268.74 g/mol
LogP4.55
Rot. Bonds4

About 4,5-diphenylpenta-2,4-dienoyl chloride

4,5-diphenylpenta-2,4-dienoyl chloride (PubChem CID 54542291) has the molecular formula C17H13ClO and a molecular weight of 268.74 g/mol. Its IUPAC name is 4,5-diphenylpenta-2,4-dienoyl chloride.

Molecular Properties

Compound Name4,5-diphenylpenta-2,4-dienoyl chloride
PubChem CID54542291
Molecular FormulaC17H13ClO
Molecular Weight268.74 g/mol
Exact Mass268.07
IUPAC Name4,5-diphenylpenta-2,4-dienoyl chloride
SMILESO=C(Cl)C=CC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H13ClO/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H
InChIKeyZEBPPRCCHKEVIQ-UHFFFAOYSA-N
XLogP4.55
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'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
(2E,4Z)-4,5-diphenylpenta-2,4-dienoic acid
CID 56927311
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
(Z)-2,3-diphenylprop-2-enoyl chloride
CID 12558834
[(1Z,3Z)-5-methyl-1-phenylhexa-1,3-dien-2-yl]benzene
CID 10901004
(E)-2-(4-chlorophenyl)-3-phenylprop-2-enal
CID 86741984
(4E,6Z)-4-methyl-6,7-diphenylhepta-4,6-dien-2-one
CID 102350773
chloro-[(Z)-1,2-diphenylethenyl]mercury
CID 12746164
(Z)-2-[(Z)-3-oxo-1,3-diphenylprop-1-en-2-yl]sulfanyl-1,3-diphenylprop-2-en-1-one
CID 11476367
(E)-2-chloro-3-phenylprop-2-enamide
CID 909679

Frequently Asked Questions

What is the IUPAC name of 4,5-diphenylpenta-2,4-dienoyl chloride?
The IUPAC name of 4,5-diphenylpenta-2,4-dienoyl chloride (CID 54542291) is 4,5-diphenylpenta-2,4-dienoyl chloride.
What is the SMILES notation for 4,5-diphenylpenta-2,4-dienoyl chloride?
The canonical SMILES for 4,5-diphenylpenta-2,4-dienoyl chloride is O=C(Cl)C=CC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 4,5-diphenylpenta-2,4-dienoyl chloride?
The InChIKey is ZEBPPRCCHKEVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClO/c18-17(19)12-11-16(15-9-5-2-6-10-15)13-14-7-3-1-4-8-14/h1-13H.
What are the key properties of 4,5-diphenylpenta-2,4-dienoyl chloride?
4,5-diphenylpenta-2,4-dienoyl chloride has a molecular weight of 268.74 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-diphenylpenta-2,4-dienoyl chloride is sourced from PubChem (CID 54542291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).