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

C25H28O — CID 170597875

IUPAC1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
SMILESCC.CC/C(=C(\c1ccccc1)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H22O.C2H6/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(24-2)17-15-20;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22-;
InChIKeyTXWUHHCRPMMATE-YJACDMIVSA-N
MW344.50 g/mol
LogP7.09
Rot. Bonds5

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

1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane (PubChem CID 170597875) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane.

Molecular Properties

Compound Name1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
PubChem CID170597875
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane
SMILESCC.CC/C(=C(\c1ccccc1)c1ccc(OC)cc1)c1ccccc1
InChIInChI=1S/C23H22O.C2H6/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(24-2)17-15-20;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22-;
InChIKeyTXWUHHCRPMMATE-YJACDMIVSA-N
XLogP7.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

1-ethoxy-4-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]benzene
CID 173277098
(E)-3-[4-[(Z)-1-(4-methoxyphenyl)-2-phenylbut-1-enyl]phenyl]prop-2-enal
CID 89258153
[3-methoxy-5-[(E)-2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]boronic acid
CID 164810567
1-(methoxymethoxy)-4-[1-[4-(methoxymethoxy)phenyl]-2-phenylbut-1-enyl]benzene
CID 138319933
1-[(E)-1,2-diphenylbut-1-enyl]-4-methylbenzene;ethane
CID 143267176
1-butoxy-4-[(Z)-1,2-diphenylbut-1-enyl]benzene
CID 149186227
1-(5-bromopentoxy)-4-(1,2-diphenylbut-1-enyl)benzene
CID 67653107
4-[1-(4-aminophenyl)-2-phenylbut-1-enyl]aniline
CID 72701917
4-[(Z)-1-[4-(2,2-dimethoxyethoxy)phenyl]-2-phenylbut-1-enyl]phenol;ethane
CID 143870397
2-[4-[(E)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]phenoxy]-N,N-dimethylethanamine
CID 177403376
N-[2-(diethylamino)ethyl]-N-[3-[2-(4-methoxyphenyl)-1-phenylbut-1-enyl]phenyl]methanesulfonamide
CID 54446236
5-methoxy-3-[1-(4-methoxyphenyl)-1-phenylbut-1-en-2-yl]-1H-indole
CID 3357216

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane?
The IUPAC name of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane (CID 170597875) is 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane.
What is the SMILES notation for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane?
The canonical SMILES for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane is CC.CC/C(=C(\c1ccccc1)c1ccc(OC)cc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane?
The InChIKey is TXWUHHCRPMMATE-YJACDMIVSA-N. The full InChI is InChI=1S/C23H22O.C2H6/c1-3-22(18-10-6-4-7-11-18)23(19-12-8-5-9-13-19)20-14-16-21(24-2)17-15-20;1-2/h4-17H,3H2,1-2H3;1-2H3/b23-22-;.
What are the key properties of 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane?
1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane has a molecular weight of 344.50 g/mol, XLogP of 7.09, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-diphenylbut-1-enyl]-4-methoxybenzene;ethane is sourced from PubChem (CID 170597875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).