1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene

C16H16O4S — CID 149234765

IUPAC1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C16H16O4S/c1-19-15-9-8-14(12-16(15)20-2)21(17,18)11-10-13-6-4-3-5-7-13/h3-12H,1-2H3/b11-10+
InChIKeyXKZQECWDPMYCIC-ZHACJKMWSA-N
MW304.37 g/mol
LogP3.15
Rot. Bonds5

About 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene

1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene (PubChem CID 149234765) has the molecular formula C16H16O4S and a molecular weight of 304.37 g/mol. Its IUPAC name is 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene.

Molecular Properties

Compound Name1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
PubChem CID149234765
Molecular FormulaC16H16O4S
Molecular Weight304.37 g/mol
Exact Mass304.08
IUPAC Name1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene
SMILESCOc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1OC
InChIInChI=1S/C16H16O4S/c1-19-15-9-8-14(12-16(15)20-2)21(17,18)11-10-13-6-4-3-5-7-13/h3-12H,1-2H3/b11-10+
InChIKeyXKZQECWDPMYCIC-ZHACJKMWSA-N
XLogP3.15
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(E)-2-(benzenesulfonyl)ethenyl]benzene
CID 736143
methyl 4-[(E)-2-phenylethenyl]sulfonylbenzoate
CID 21252055
(E)-2-(3,4-dimethoxyphenyl)-N-phenylethenesulfonamide
CID 1487582
1-[2-(benzenesulfonyl)ethenyl]-3-methylbenzene
CID 175536541
4-(2-phenylethenylsulfonyl)benzonitrile
CID 70224681
(Z)-1-(3,4-dimethoxyphenyl)-3-phenylprop-2-en-1-one
CID 92997690
CID 118692692
CID 118692692
1-[(E)-2-(4-methoxyphenyl)ethenyl]sulfonyl-4-methylbenzene
CID 13140763
3-[4-[(3,4-dimethoxyphenyl)sulfonylamino]phenyl]prop-2-enoic acid
CID 67019607
3-(2-phenylethenylsulfonyl)benzenecarboximidamide
CID 57223238
(E)-N-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-2-phenylethenesulfonamide
CID 8802776
calcium;3,4-dimethoxybenzenesulfonic acid;hydride
CID 174743928

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The IUPAC name of 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene (CID 149234765) is 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene.
What is the SMILES notation for 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The canonical SMILES for 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene is COc1ccc(S(=O)(=O)/C=C/c2ccccc2)cc1OC.
What is the InChIKey of 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene?
The InChIKey is XKZQECWDPMYCIC-ZHACJKMWSA-N. The full InChI is InChI=1S/C16H16O4S/c1-19-15-9-8-14(12-16(15)20-2)21(17,18)11-10-13-6-4-3-5-7-13/h3-12H,1-2H3/b11-10+.
What are the key properties of 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene?
1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene has a molecular weight of 304.37 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethoxy-4-[(E)-2-phenylethenyl]sulfonylbenzene is sourced from PubChem (CID 149234765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).