1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene

C16H16O3S — CID 15156165

IUPAC1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C/C=C\Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-14-8-10-16(11-9-14)20(17,18)13-5-12-19-15-6-3-2-4-7-15/h2-12H,13H2,1H3/b12-5-
InChIKeyJYMQYLPCEHSNDZ-XGICHPGQSA-N
MW288.37 g/mol
LogP3.36
Rot. Bonds5

About 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene

1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene (PubChem CID 15156165) has the molecular formula C16H16O3S and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene.

Molecular Properties

Compound Name1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene
PubChem CID15156165
Molecular FormulaC16H16O3S
Molecular Weight288.37 g/mol
Exact Mass288.08
IUPAC Name1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene
SMILESCc1ccc(S(=O)(=O)C/C=C\Oc2ccccc2)cc1
InChIInChI=1S/C16H16O3S/c1-14-8-10-16(11-9-14)20(17,18)13-5-12-19-15-6-3-2-4-7-15/h2-12H,13H2,1H3/b12-5-
InChIKeyJYMQYLPCEHSNDZ-XGICHPGQSA-N
XLogP3.36
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene 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-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene?
The IUPAC name of 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene (CID 15156165) is 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene.
What is the SMILES notation for 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene?
The canonical SMILES for 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene is Cc1ccc(S(=O)(=O)C/C=C\Oc2ccccc2)cc1.
What is the InChIKey of 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene?
The InChIKey is JYMQYLPCEHSNDZ-XGICHPGQSA-N. The full InChI is InChI=1S/C16H16O3S/c1-14-8-10-16(11-9-14)20(17,18)13-5-12-19-15-6-3-2-4-7-15/h2-12H,13H2,1H3/b12-5-.
What are the key properties of 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene?
1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene has a molecular weight of 288.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[(Z)-3-phenoxyprop-2-enyl]sulfonylbenzene is sourced from PubChem (CID 15156165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).