1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene

C22H20O2S — CID 135066313

IUPAC1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene
SMILESCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)c(S(C)=O)c1
InChIInChI=1S/C22H20O2S/c1-24-19-13-14-20(22(16-19)25(2)23)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+
InChIKeyBAMYGOCYKNKXPN-RCCKNPSSSA-N
MW348.47 g/mol
LogP5.02
Rot. Bonds5

About 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene

1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene (PubChem CID 135066313) has the molecular formula C22H20O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene.

Molecular Properties

Compound Name1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene
PubChem CID135066313
Molecular FormulaC22H20O2S
Molecular Weight348.47 g/mol
Exact Mass348.12
IUPAC Name1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene
SMILESCOc1ccc(/C(=C/c2ccccc2)c2ccccc2)c(S(C)=O)c1
InChIInChI=1S/C22H20O2S/c1-24-19-13-14-20(22(16-19)25(2)23)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+
InChIKeyBAMYGOCYKNKXPN-RCCKNPSSSA-N
XLogP5.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.47
LogP ≤ 55.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-methoxyphenyl)-phenylmethanone;2-methoxy-3-phenylprop-2-enoic acid
CID 158503337
1,4-dimethoxy-2-[(E)-1-phenylprop-1-enyl]benzene
CID 102370228
1,4-dimethoxy-2-[(Z)-1-phenylprop-1-enyl]benzene
CID 102082357
1-[(Z)-1,2-diphenylethenyl]-2,4-dimethylbenzene
CID 155936841
2-(2-carboxyphenyl)sulfinyl-4-methoxybenzoic acid
CID 102253869
1-[2-chloro-4-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]but-2-enyl]-4-methoxybenzene;1,2-diphenylethenylbenzene
CID 159192069
1-[2-[(E)-1,2-diphenylethenyl]phenyl]ethanone
CID 11380988
3-[(Z)-1,2-diphenylethenyl]-2,5-dimethylfuran
CID 12624786
CID 175499515
CID 175499515
CID 172864174
CID 172864174
CID 173126547
CID 173126547
(Z)-1-(4-methoxyphenyl)-2,3-diphenylprop-2-en-1-one
CID 5372226

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene?
The IUPAC name of 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene (CID 135066313) is 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene.
What is the SMILES notation for 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene?
The canonical SMILES for 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene is COc1ccc(/C(=C/c2ccccc2)c2ccccc2)c(S(C)=O)c1.
What is the InChIKey of 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene?
The InChIKey is BAMYGOCYKNKXPN-RCCKNPSSSA-N. The full InChI is InChI=1S/C22H20O2S/c1-24-19-13-14-20(22(16-19)25(2)23)21(18-11-7-4-8-12-18)15-17-9-5-3-6-10-17/h3-16H,1-2H3/b21-15+.
What are the key properties of 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene?
1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene has a molecular weight of 348.47 g/mol, XLogP of 5.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-1,2-diphenylethenyl]-4-methoxy-2-methylsulfinylbenzene is sourced from PubChem (CID 135066313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).