1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene

C26H28O — CID 162401202

IUPAC1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
SMILESCOc1ccc(/C=C/[C@H](Cc2ccccc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H28O/c1-20(2)23-13-15-24(16-14-23)25(19-22-7-5-4-6-8-22)12-9-21-10-17-26(27-3)18-11-21/h4-18,20,25H,19H2,1-3H3/b12-9+/t25-/m1/s1
InChIKeyXNKCUHHODQDORK-QXJBOHEXSA-N
MW356.51 g/mol
LogP6.86
Rot. Bonds7

About 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene

1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene (PubChem CID 162401202) has the molecular formula C26H28O and a molecular weight of 356.51 g/mol. Its IUPAC name is 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
PubChem CID162401202
Molecular FormulaC26H28O
Molecular Weight356.51 g/mol
Exact Mass356.21
IUPAC Name1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene
SMILESCOc1ccc(/C=C/[C@H](Cc2ccccc2)c2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C26H28O/c1-20(2)23-13-15-24(16-14-23)25(19-22-7-5-4-6-8-22)12-9-21-10-17-26(27-3)18-11-21/h4-18,20,25H,19H2,1-3H3/b12-9+/t25-/m1/s1
InChIKeyXNKCUHHODQDORK-QXJBOHEXSA-N
XLogP6.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.51
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(1E)-1-(4-methoxyphenyl)-5-methylhexa-1,5-dien-3-yl]benzene
CID 56837291
(3R,4R)-3-hydroxy-2-[(4-methoxyphenyl)methyl]-4-methyl-5-phenylpentanal
CID 87566123
1-(2-phenylethenyl)-4-propan-2-ylbenzene
CID 53397765
1-[(E,3S)-3-phenylbut-1-enyl]-4-propan-2-ylbenzene
CID 11288169
(E)-3-(4-methoxyphenyl)-N-[(2R)-1-phenylpropan-2-yl]prop-2-enamide
CID 757128
1,3-dimethoxy-5-[(E,2R)-2-(4-methoxyphenyl)pent-3-enyl]benzene
CID 102164440
N-[(E)-4-(4-methoxyphenyl)-2-methylbut-3-enyl]aniline
CID 102526815
1-methoxy-4-[(E,3S)-3-(4-propylphenyl)but-1-enyl]benzene
CID 177453758
1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
1-deuterio-1-(4-methoxyphenyl)-2-phenylethanol
CID 135063762
1-methoxy-4-(1-nitroso-2-phenylethyl)benzene
CID 91063046

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The IUPAC name of 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene (CID 162401202) is 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The canonical SMILES for 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene is COc1ccc(/C=C/[C@H](Cc2ccccc2)c2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene?
The InChIKey is XNKCUHHODQDORK-QXJBOHEXSA-N. The full InChI is InChI=1S/C26H28O/c1-20(2)23-13-15-24(16-14-23)25(19-22-7-5-4-6-8-22)12-9-21-10-17-26(27-3)18-11-21/h4-18,20,25H,19H2,1-3H3/b12-9+/t25-/m1/s1.
What are the key properties of 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene?
1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene has a molecular weight of 356.51 g/mol, XLogP of 6.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(E,3S)-4-phenyl-3-(4-propan-2-ylphenyl)but-1-enyl]benzene is sourced from PubChem (CID 162401202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).