1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene

C24H30O2S — CID 139796540

IUPAC1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene
SMILESCC(C)Cc1ccc(C=CS(=O)(=O)C=Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C24H30O2S/c1-19(2)17-23-9-5-21(6-10-23)13-15-27(25,26)16-14-22-7-11-24(12-8-22)18-20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyFZFMLKHDLDVONP-UHFFFAOYSA-N
MW382.57 g/mol
LogP6.14
Rot. Bonds8

About 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene

1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene (PubChem CID 139796540) has the molecular formula C24H30O2S and a molecular weight of 382.57 g/mol. Its IUPAC name is 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene.

Molecular Properties

Compound Name1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene
PubChem CID139796540
Molecular FormulaC24H30O2S
Molecular Weight382.57 g/mol
Exact Mass382.20
IUPAC Name1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene
SMILESCC(C)Cc1ccc(C=CS(=O)(=O)C=Cc2ccc(CC(C)C)cc2)cc1
InChIInChI=1S/C24H30O2S/c1-19(2)17-23-9-5-21(6-10-23)13-15-27(25,26)16-14-22-7-11-24(12-8-22)18-20(3)4/h5-16,19-20H,17-18H2,1-4H3
InChIKeyFZFMLKHDLDVONP-UHFFFAOYSA-N
XLogP6.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.57
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-4-[(Z)-prop-1-enyl]benzene
CID 142899805
4-[4-(2-methylpropyl)phenyl]but-3-enal
CID 170482081
(E)-1-[4-(2-methylpropyl)phenyl]-3-[4-[(E)-3-[4-(2-methylpropyl)phenyl]-3-oxoprop-1-enyl]phenyl]prop-2-en-1-one
CID 21040458
methyl 3-[4-(2-methylpropyl)phenyl]prop-2-enoate
CID 139892632
1-iodo-4-[2-[2-(4-iodophenyl)ethenylsulfonyl]ethenyl]benzene
CID 139796527
[(E)-3-[4-(2-methylpropyl)phenyl]prop-2-enyl] acetate
CID 118260411
1-[(E)-4,4-bis(benzenesulfonyl)-4-fluorobut-1-enyl]-4-(2-methylpropyl)benzene
CID 135071138
1-(2-methylpropyl)-4-(3-phenylbut-1-enyl)benzene
CID 162348170
[(E)-3-[4-[(E)-2-[4-(2-methylpropyl)phenyl]ethenyl]phenyl]prop-2-enyl] 2-methylpropanoate
CID 159247460
1-ethenyl-4-(2-methylpropyl)benzene;propanal
CID 157417847
1-(3-azidoprop-1-enyl)-4-(2-methylpropyl)benzene
CID 169461946
1,4-bis(2-ethylsulfonylethenyl)benzene
CID 57028343

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene?
The IUPAC name of 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene (CID 139796540) is 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene.
What is the SMILES notation for 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene?
The canonical SMILES for 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene is CC(C)Cc1ccc(C=CS(=O)(=O)C=Cc2ccc(CC(C)C)cc2)cc1.
What is the InChIKey of 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene?
The InChIKey is FZFMLKHDLDVONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O2S/c1-19(2)17-23-9-5-21(6-10-23)13-15-27(25,26)16-14-22-7-11-24(12-8-22)18-20(3)4/h5-16,19-20H,17-18H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene?
1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene has a molecular weight of 382.57 g/mol, XLogP of 6.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-4-[2-[2-[4-(2-methylpropyl)phenyl]ethenylsulfonyl]ethenyl]benzene is sourced from PubChem (CID 139796540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).