4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol

C23H22O3S — CID 11485761

IUPAC4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22O3S/c1-3-22(17-11-15-21(16-12-17)27(2,25)26)23(18-7-5-4-6-8-18)19-9-13-20(24)14-10-19/h4-16,24H,3H2,1-2H3/b23-22-
InChIKeyNCYNUGBKDQITPZ-FCQUAONHSA-N
MW378.49 g/mol
LogP5.16
Rot. Bonds5

About 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol

4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol (PubChem CID 11485761) has the molecular formula C23H22O3S and a molecular weight of 378.49 g/mol. Its IUPAC name is 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol.

Molecular Properties

Compound Name4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol
PubChem CID11485761
Molecular FormulaC23H22O3S
Molecular Weight378.49 g/mol
Exact Mass378.13
IUPAC Name4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol
SMILESCC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C23H22O3S/c1-3-22(17-11-15-21(16-12-17)27(2,25)26)23(18-7-5-4-6-8-18)19-9-13-20(24)14-10-19/h4-16,24H,3H2,1-2H3/b23-22-
InChIKeyNCYNUGBKDQITPZ-FCQUAONHSA-N
XLogP5.16
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.49
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol?
The IUPAC name of 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol (CID 11485761) is 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol.
What is the SMILES notation for 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol?
The canonical SMILES for 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol is CC/C(=C(\c1ccccc1)c1ccc(O)cc1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol?
The InChIKey is NCYNUGBKDQITPZ-FCQUAONHSA-N. The full InChI is InChI=1S/C23H22O3S/c1-3-22(17-11-15-21(16-12-17)27(2,25)26)23(18-7-5-4-6-8-18)19-9-13-20(24)14-10-19/h4-16,24H,3H2,1-2H3/b23-22-.
What are the key properties of 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol?
4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol has a molecular weight of 378.49 g/mol, XLogP of 5.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-methylsulfonylphenyl)-1-phenylbut-1-enyl]phenol is sourced from PubChem (CID 11485761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).