4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene

C24H26O2S — CID 67686702

IUPAC4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(S(=O)(=O)c2ccc(CC=C)c(CC=C)c2)cc1CC=C
InChIInChI=1S/C24H26O2S/c1-5-9-19-13-15-23(17-21(19)11-7-3)27(25,26)24-16-14-20(10-6-2)22(18-24)12-8-4/h5-8,13-18H,1-4,9-12H2
InChIKeyYBZTWDHVBWSFBC-UHFFFAOYSA-N
MW378.54 g/mol
LogP5.43
Rot. Bonds10

About 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene

4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene (PubChem CID 67686702) has the molecular formula C24H26O2S and a molecular weight of 378.54 g/mol. Its IUPAC name is 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene.

Molecular Properties

Compound Name4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene
PubChem CID67686702
Molecular FormulaC24H26O2S
Molecular Weight378.54 g/mol
Exact Mass378.17
IUPAC Name4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene
SMILESC=CCc1ccc(S(=O)(=O)c2ccc(CC=C)c(CC=C)c2)cc1CC=C
InChIInChI=1S/C24H26O2S/c1-5-9-19-13-15-23(17-21(19)11-7-3)27(25,26)24-16-14-20(10-6-2)22(18-24)12-8-4/h5-8,13-18H,1-4,9-12H2
InChIKeyYBZTWDHVBWSFBC-UHFFFAOYSA-N
XLogP5.43
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.54
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(4-hydroxyphenyl)sulfonyl-2-prop-2-enylphenol
CID 14121742
1-propan-2-yloxy-4-(4-propan-2-yloxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
CID 135024891
4-methyl-3-prop-2-enylbenzenesulfonic acid
CID 52911067
2-[[2-methoxy-5-[4-methoxy-3-(oxiran-2-ylmethyl)phenyl]sulfonylphenyl]methyl]oxirane;1-methoxy-4-(4-methoxy-3-prop-2-enylphenyl)sulfonyl-2-prop-2-enylbenzene
CID 87904811
sodium 2,3,4-tris(prop-2-enyl)benzenesulfonate
CID 88829241
2,3,9,10-tetrakis(prop-2-enyl)pentacene
CID 173239709
N-(4-methylsulfonyl-2-prop-2-enylphenyl)prop-2-enamide
CID 102287611
1-[4-(4-methoxyphenyl)sulfonylphenoxy]-4-[4-[4-[4-[4-(4-methylphenyl)phenoxy]phenyl]sulfonylphenoxy]-3-[(E)-prop-1-enyl]phenyl]sulfonyl-2-prop-2-enylbenzene
CID 176631819
2-prop-2-enylbenzenesulfonate;rubidium(1+)
CID 140773324
4-(benzenesulfonyl)-1,2-bis(bromomethyl)benzene
CID 130298857
4-prop-2-enylbenzenesulfonic acid
CID 19098643
2-(2-prop-2-enylphenyl)acetaldehyde
CID 134852101

Frequently Asked Questions

What is the IUPAC name of 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene?
The IUPAC name of 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene (CID 67686702) is 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene.
What is the SMILES notation for 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene?
The canonical SMILES for 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene is C=CCc1ccc(S(=O)(=O)c2ccc(CC=C)c(CC=C)c2)cc1CC=C.
What is the InChIKey of 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene?
The InChIKey is YBZTWDHVBWSFBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2S/c1-5-9-19-13-15-23(17-21(19)11-7-3)27(25,26)24-16-14-20(10-6-2)22(18-24)12-8-4/h5-8,13-18H,1-4,9-12H2.
What are the key properties of 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene?
4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene has a molecular weight of 378.54 g/mol, XLogP of 5.43, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4-bis(prop-2-enyl)phenyl]sulfonyl-1,2-bis(prop-2-enyl)benzene is sourced from PubChem (CID 67686702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).