[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene

C22H20OS — CID 101457722

IUPAC[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene
SMILESCOC/C(=C(/Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c1-23-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-16H,17H2,1H3/b22-21-
InChIKeyRHQYTNFMVDBPES-DQRAZIAOSA-N
MW332.47 g/mol
LogP5.99
Rot. Bonds6

About [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene

[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene (PubChem CID 101457722) has the molecular formula C22H20OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene.

Molecular Properties

Compound Name[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene
PubChem CID101457722
Molecular FormulaC22H20OS
Molecular Weight332.47 g/mol
Exact Mass332.12
IUPAC Name[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene
SMILESCOC/C(=C(/Sc1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H20OS/c1-23-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-16H,17H2,1H3/b22-21-
InChIKeyRHQYTNFMVDBPES-DQRAZIAOSA-N
XLogP5.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.47
LogP ≤ 55.99
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

1-Fluoro-4-[methoxy(phenyl)methyl]sulfanylbenzene
CID 102287417
1,2-Bis(phenylmethoxy)-3-phenylthiopropane
CID 4573537
[(2-Ethoxy-2-phenylethyl)sulfanyl]benzene
CID 13207462
2-(2-phenylethyl)-4H-3,1-benzoxathiine
CID 85763510
(s)-(Phenylthiomethyl)benzyl ether
CID 10966494
1-(Phenylsulfanylmethyl)-2-[[2-(phenylsulfanylmethyl)phenyl]methoxymethyl]benzene
CID 67420046
4-(4-Methylsulfonylphenyl)-3-phenyl-5h-furan
CID 101000336
1-Benzylsulfanylbutoxymethylbenzene
CID 121237822
2-Methylthiobenzyl ether
CID 129892267
4-Methylthiobenzyl ether
CID 139755636
1-Methyl-4-[4-[2-(trifluoromethoxy)ethyl]phenyl]sulfanylbenzene
CID 20735237
1-(2,2-Dimethylpropyl)-4-[4-(1-fluoro-1-methoxyethyl)phenyl]sulfanylbenzene
CID 156372122

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene?
The IUPAC name of [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene (CID 101457722) is [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene.
What is the SMILES notation for [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene?
The canonical SMILES for [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene is COC/C(=C(/Sc1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene?
The InChIKey is RHQYTNFMVDBPES-DQRAZIAOSA-N. The full InChI is InChI=1S/C22H20OS/c1-23-17-21(18-11-5-2-6-12-18)22(19-13-7-3-8-14-19)24-20-15-9-4-10-16-20/h2-16H,17H2,1H3/b22-21-.
What are the key properties of [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene?
[(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene has a molecular weight of 332.47 g/mol, XLogP of 5.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methoxy-1,2-diphenylprop-1-enyl]sulfanylbenzene is sourced from PubChem (CID 101457722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).