[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene

C18H18O3S — CID 102470798

IUPAC[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene
SMILESCOC/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18O3S/c1-21-15-14-18(13-12-16-8-4-2-5-9-16)22(19,20)17-10-6-3-7-11-17/h2-14H,15H2,1H3/b13-12+,18-14-
InChIKeyVUBOKHIVPKXAQP-LWOKMJCDSA-N
MW314.41 g/mol
LogP3.70
Rot. Bonds6

About [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene

[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene (PubChem CID 102470798) has the molecular formula C18H18O3S and a molecular weight of 314.41 g/mol. Its IUPAC name is [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene.

Molecular Properties

Compound Name[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene
PubChem CID102470798
Molecular FormulaC18H18O3S
Molecular Weight314.41 g/mol
Exact Mass314.10
IUPAC Name[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene
SMILESCOC/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H18O3S/c1-21-15-14-18(13-12-16-8-4-2-5-9-16)22(19,20)17-10-6-3-7-11-17/h2-14H,15H2,1H3/b13-12+,18-14-
InChIKeyVUBOKHIVPKXAQP-LWOKMJCDSA-N
XLogP3.70
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Benzene, 1-methyl-4-(phenylsulfonyl)-
CID 69497
Benzene, 1,1'-sulfonylbis(4-methyl-
CID 69030
O-ethyl 2-(4-phenylphenyl)sulfonylethanethioate
CID 25215941
3-Methylphenyl phenyl sulfone
CID 221136
[(Z)-2-(benzenesulfonyl)prop-1-enyl]benzene
CID 5382420
Bis(methylphenyl) sulphone
CID 601881
Benzene, 1-methyl-2-(phenylsulfonyl)-
CID 616013
1-[(E)-3-ethoxy-1-fluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101190137
1-Ethyl-4-[(4-methylphenyl)sulfonyl]benzene
CID 284215
[(Z)-1,2-diphenylethenyl]sulfonylbenzene
CID 5382434
(E)-1-Phenyl-2-phenylsulfonyl-1-propene
CID 5966011
[(Z)-1-(benzenesulfonyl)-2-methoxyethenyl]benzene
CID 12555308

Frequently Asked Questions

What is the IUPAC name of [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene?
The IUPAC name of [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene (CID 102470798) is [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene.
What is the SMILES notation for [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene?
The canonical SMILES for [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene is COC/C=C(/C=C/c1ccccc1)S(=O)(=O)c1ccccc1.
What is the InChIKey of [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene?
The InChIKey is VUBOKHIVPKXAQP-LWOKMJCDSA-N. The full InChI is InChI=1S/C18H18O3S/c1-21-15-14-18(13-12-16-8-4-2-5-9-16)22(19,20)17-10-6-3-7-11-17/h2-14H,15H2,1H3/b13-12+,18-14-.
What are the key properties of [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene?
[(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene has a molecular weight of 314.41 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1E,3Z)-3-(benzenesulfonyl)-5-methoxypenta-1,3-dienyl]benzene is sourced from PubChem (CID 102470798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).