[(E)-2,4-diphenylbut-1-enoxy]methylbenzene

C23H22O — CID 134937265

IUPAC[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
SMILESC(\OCc1ccccc1)=C(\CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O/c1-4-10-20(11-5-1)16-17-23(22-14-8-3-9-15-22)19-24-18-21-12-6-2-7-13-21/h1-15,19H,16-18H2/b23-19+
InChIKeySJSSAKPAFBRZKC-FCDQGJHFSA-N
MW314.43 g/mol
LogP5.88
Rot. Bonds7

About [(E)-2,4-diphenylbut-1-enoxy]methylbenzene

[(E)-2,4-diphenylbut-1-enoxy]methylbenzene (PubChem CID 134937265) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is [(E)-2,4-diphenylbut-1-enoxy]methylbenzene.

Molecular Properties

Compound Name[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
PubChem CID134937265
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
SMILESC(\OCc1ccccc1)=C(\CCc1ccccc1)c1ccccc1
InChIInChI=1S/C23H22O/c1-4-10-20(11-5-1)16-17-23(22-14-8-3-9-15-22)19-24-18-21-12-6-2-7-13-21/h1-15,19H,16-18H2/b23-19+
InChIKeySJSSAKPAFBRZKC-FCDQGJHFSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2,2-difluoroethenoxymethylbenzene
CID 53483110
methyl (Z)-3,5-diphenylpent-2-enoate
CID 118455591
[(E)-4-(4-ethylphenyl)-2-phenylbut-1-enyl] formate
CID 88580961
tert-butyl (Z)-3,5-diphenylpent-2-enoate
CID 118672322
2,2,6,6-tetramethyl-1-[(Z)-2-phenyl-3-phenylmethoxyprop-2-enoxy]piperidine
CID 102127816
[4-(4-methylsulfanylphenyl)-2-phenylbut-1-enyl] formate
CID 123964859
(Z)-N-[(E)-1,3-diphenylpropylideneamino]-1,3-diphenylpropan-1-imine
CID 6370993
(E)-1,1,1,4,6-pentakis-phenylhex-3-en-2-one
CID 5376836
ethenoxymethylbenzene
CID 11116115
benzyl N-hydroxymethanimidate
CID 134694398
azane;benzyl 3-phenylpropanoate
CID 175136325
dimethoxy(oxo)phosphanium;(E)-3-phenyl-4-phenylmethoxybut-3-en-2-one
CID 174789890

Frequently Asked Questions

What is the IUPAC name of [(E)-2,4-diphenylbut-1-enoxy]methylbenzene?
The IUPAC name of [(E)-2,4-diphenylbut-1-enoxy]methylbenzene (CID 134937265) is [(E)-2,4-diphenylbut-1-enoxy]methylbenzene.
What is the SMILES notation for [(E)-2,4-diphenylbut-1-enoxy]methylbenzene?
The canonical SMILES for [(E)-2,4-diphenylbut-1-enoxy]methylbenzene is C(\OCc1ccccc1)=C(\CCc1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-2,4-diphenylbut-1-enoxy]methylbenzene?
The InChIKey is SJSSAKPAFBRZKC-FCDQGJHFSA-N. The full InChI is InChI=1S/C23H22O/c1-4-10-20(11-5-1)16-17-23(22-14-8-3-9-15-22)19-24-18-21-12-6-2-7-13-21/h1-15,19H,16-18H2/b23-19+.
What are the key properties of [(E)-2,4-diphenylbut-1-enoxy]methylbenzene?
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene has a molecular weight of 314.43 g/mol, XLogP of 5.88, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2,4-diphenylbut-1-enoxy]methylbenzene is sourced from PubChem (CID 134937265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).