1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene

C24H24O2S — CID 11303412

IUPAC1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene
SMILESCCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-3-10-23(19-11-6-4-7-12-19)24(20-13-8-5-9-14-20)21-15-17-22(18-16-21)27(2,25)26/h4-9,11-18H,3,10H2,1-2H3/b24-23-
InChIKeyNNRYGGFTEVJTIV-VHXPQNKSSA-N
MW376.52 g/mol
LogP5.85
Rot. Bonds6

About 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene

1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene (PubChem CID 11303412) has the molecular formula C24H24O2S and a molecular weight of 376.52 g/mol. Its IUPAC name is 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene.

Molecular Properties

Compound Name1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene
PubChem CID11303412
Molecular FormulaC24H24O2S
Molecular Weight376.52 g/mol
Exact Mass376.15
IUPAC Name1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene
SMILESCCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1
InChIInChI=1S/C24H24O2S/c1-3-10-23(19-11-6-4-7-12-19)24(20-13-8-5-9-14-20)21-15-17-22(18-16-21)27(2,25)26/h4-9,11-18H,3,10H2,1-2H3/b24-23-
InChIKeyNNRYGGFTEVJTIV-VHXPQNKSSA-N
XLogP5.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.52
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene?
The IUPAC name of 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene (CID 11303412) is 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene.
What is the SMILES notation for 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene?
The canonical SMILES for 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene is CCC/C(=C(\c1ccccc1)c1ccc(S(C)(=O)=O)cc1)c1ccccc1.
What is the InChIKey of 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene?
The InChIKey is NNRYGGFTEVJTIV-VHXPQNKSSA-N. The full InChI is InChI=1S/C24H24O2S/c1-3-10-23(19-11-6-4-7-12-19)24(20-13-8-5-9-14-20)21-15-17-22(18-16-21)27(2,25)26/h4-9,11-18H,3,10H2,1-2H3/b24-23-.
What are the key properties of 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene?
1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene has a molecular weight of 376.52 g/mol, XLogP of 5.85, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1,2-diphenylpent-1-enyl]-4-methylsulfonylbenzene is sourced from PubChem (CID 11303412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).