2,4-Diphenylcrotonaldehyde

HCID 6437592

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Basic information

CAS: 115872-75-8
Standard SMILES: O=C/C(=C/Cc1ccccc1)c1ccccc1
InChIKey: AXZDPAXJQHIRTE-VBKFSLOCSA-N
Molecular formula: C16H14O
Average molar mass: 222.28 g/mol
Monoisotopic mass: 222.10446507

Overview

(E)-2,4-diphenylcrotonaldehyde has been reported in Clitocybe nebularis with data available.

Names & identifiers

Preferred name: 2,4-Diphenylcrotonaldehyde
IUPAC: (E)-2,4-diphenylbut-2-enal

Names & synonyms

2,4-Diphenylcrotonaldehyde(E)-2,4-Diphenyl-2-butenalUNII-08E7NBM7TD2,4-Diphenylcrotonaldehyde, (E)-08E7NBM7TD115872-75-85031-83-4Benzeneacetaldehyde, alpha-(2-phenylethylidene)-, (E)-Benzeneacetaldehyde, alpha-(2-phenylethylidene)-, (alphaE)-(E)-2,4-diphenylbut-2-enalEINECS 225-723-0UNII-EQ7W6S78H1

Show more names

EQ7W6S78H1SCHEMBL9166134(E)-2,4-diphenylcrotonaldehydeAXZDPAXJQHIRTE-VBKFSLOCSA-NDB-239535NS00032038Q27236399BENZENEACETALDEHYDE, .ALPHA.-(2-PHENYLETHYLIDENE)-, (E)-

Database identifiers

CAS: 115872-75-8、5031-83-4
PubChem CID: 6437592
UNII: 08E7NBM7TD
EC Number: 225-723-0
Nikkaji: J775.724G

Properties

Computed structural properties

XLogP: 3.7
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 4
Heavy atoms: 17
Formal charge: 0
Complexity: 255

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