1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene

C23H22O — CID 11415775

IUPAC1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
SMILESCOc1ccc(CCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O/c1-24-22-17-15-19(16-18-22)9-8-14-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-18H,8-9H2,1H3
InChIKeyXSZIJKFEQVLXBJ-UHFFFAOYSA-N
MW314.43 g/mol
LogP5.76
Rot. Bonds6

About 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene

1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene (PubChem CID 11415775) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
PubChem CID11415775
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
SMILESCOc1ccc(CCC=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O/c1-24-22-17-15-19(16-18-22)9-8-14-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-18H,8-9H2,1H3
InChIKeyXSZIJKFEQVLXBJ-UHFFFAOYSA-N
XLogP5.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.43
LogP ≤ 55.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-chloro-4-[4-(4-methoxyphenyl)-1-phenylbut-1-enyl]benzene
CID 71377877
(E)-5-(4-methoxyphenyl)-2-methylpent-2-en-1-ol
CID 10420524
1-methoxy-4-(4-phenylbutyl)benzene
CID 15647797
(E)-N,N-dibenzyl-1,1,1-trifluoro-5-(4-methoxyphenyl)pent-2-en-2-amine
CID 177429792
4-(4-methoxyphenyl)-2-methyl-1-phenylbutan-1-one
CID 104845102
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
CID 101240761
1-methoxy-4-(6-phenylhexyl)benzene
CID 54077830
N-[2-(4-methoxyphenyl)ethyl]benzenecarbothioamide
CID 18891957
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
1-methoxy-4-[(E)-pent-3-enyl]benzene
CID 15169394
(Z)-3-(4-methoxyphenyl)-3-phenylprop-2-enal
CID 14547230
[4-[2-(4-methoxyphenyl)ethoxy]phenyl]-phenylmethanone
CID 71349008

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene?
The IUPAC name of 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene (CID 11415775) is 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene.
What is the SMILES notation for 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene?
The canonical SMILES for 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene is COc1ccc(CCC=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene?
The InChIKey is XSZIJKFEQVLXBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22O/c1-24-22-17-15-19(16-18-22)9-8-14-23(20-10-4-2-5-11-20)21-12-6-3-7-13-21/h2-7,10-18H,8-9H2,1H3.
What are the key properties of 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene?
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene has a molecular weight of 314.43 g/mol, XLogP of 5.76, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene is sourced from PubChem (CID 11415775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).