1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene

C23H22O — CID 101240761

IUPAC1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C(=C/Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O/c1-24-23-16-13-20(14-17-23)18-22(21-10-6-3-7-11-21)15-12-19-8-4-2-5-9-19/h2-11,13-17H,12,18H2,1H3/b22-15-
InChIKeyZRSYAWGGQADSJD-JCMHNJIXSA-N
MW314.43 g/mol
LogP5.56
Rot. Bonds6

About 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene

1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene (PubChem CID 101240761) has the molecular formula C23H22O and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
PubChem CID101240761
Molecular FormulaC23H22O
Molecular Weight314.43 g/mol
Exact Mass314.17
IUPAC Name1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene
SMILESCOc1ccc(C/C(=C/Cc2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C23H22O/c1-24-23-16-13-20(14-17-23)18-22(21-10-6-3-7-11-21)15-12-19-8-4-2-5-9-19/h2-11,13-17H,12,18H2,1H3/b22-15-
InChIKeyZRSYAWGGQADSJD-JCMHNJIXSA-N
XLogP5.56
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 ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-2,4-bis(4-methoxyphenyl)but-2-en-1-ol
CID 155188372
1-(4,4-diphenylbut-3-enyl)-4-methoxybenzene
CID 11415775
1-[(E)-1-cyclohexyl-3-phenylprop-1-en-2-yl]-4-methoxybenzene
CID 11120345
[(E)-1-phenylbut-2-en-2-yl]benzene
CID 6152777
[(Z)-2,4-diphenylbut-2-enyl]-trimethylphosphanium
CID 177487791
(E)-2,4-bis(4-methoxyphenyl)but-2-enal
CID 10493156
4-(4-methoxyphenyl)-3-methylbut-2-en-1-amine
CID 76997095
N-benzyl-2-(4-methoxyphenyl)ethanimine
CID 71336415
(NE)-N-[1-(4-methoxyphenyl)-2-phenylethylidene]hydroxylamine
CID 10060245
1-methoxy-4-[4-(4-methoxyphenyl)but-2-enyl]benzene
CID 54485845
4-[(E)-2-benzyl-3-(4-methoxyphenyl)prop-2-enyl]phenol
CID 46867451
(Z)-4-(4-methoxyphenoxy)-2-phenylbut-2-en-1-ol
CID 134970181

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene?
The IUPAC name of 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene (CID 101240761) is 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene.
What is the SMILES notation for 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene?
The canonical SMILES for 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene is COc1ccc(C/C(=C/Cc2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene?
The InChIKey is ZRSYAWGGQADSJD-JCMHNJIXSA-N. The full InChI is InChI=1S/C23H22O/c1-24-23-16-13-20(14-17-23)18-22(21-10-6-3-7-11-21)15-12-19-8-4-2-5-9-19/h2-11,13-17H,12,18H2,1H3/b22-15-.
What are the key properties of 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene?
1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene has a molecular weight of 314.43 g/mol, XLogP of 5.56, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2,4-diphenylbut-2-enyl]-4-methoxybenzene is sourced from PubChem (CID 101240761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).