5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol

C25H26O3S — CID 155552943

IUPAC5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCCO)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O3S/c1-29(27,28)23-17-15-20(16-18-23)24(14-8-9-19-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,15-18,26H,8-9,14,19H2,1H3
InChIKeyUAZKUHQJWPGNSK-UHFFFAOYSA-N
MW406.55 g/mol
LogP5.21
Rot. Bonds8

About 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol

5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol (PubChem CID 155552943) has the molecular formula C25H26O3S and a molecular weight of 406.55 g/mol. Its IUPAC name is 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol.

Molecular Properties

Compound Name5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
PubChem CID155552943
Molecular FormulaC25H26O3S
Molecular Weight406.55 g/mol
Exact Mass406.16
IUPAC Name5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCCO)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C25H26O3S/c1-29(27,28)23-17-15-20(16-18-23)24(14-8-9-19-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,15-18,26H,8-9,14,19H2,1H3
InChIKeyUAZKUHQJWPGNSK-UHFFFAOYSA-N
XLogP5.21
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.55
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol?
The IUPAC name of 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol (CID 155552943) is 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol.
What is the SMILES notation for 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol?
The canonical SMILES for 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol is CS(=O)(=O)c1ccc(C(CCCCO)=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol?
The InChIKey is UAZKUHQJWPGNSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26O3S/c1-29(27,28)23-17-15-20(16-18-23)24(14-8-9-19-26)25(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-7,10-13,15-18,26H,8-9,14,19H2,1H3.
What are the key properties of 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol?
5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol has a molecular weight of 406.55 g/mol, XLogP of 5.21, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylsulfonylphenyl)-6,6-diphenylhex-5-en-1-ol is sourced from PubChem (CID 155552943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).