4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol

C24H24O3S — CID 155541121

IUPAC4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCO)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O3S/c1-28(26,27)22-16-14-19(15-17-22)23(13-8-18-25)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,25H,8,13,18H2,1H3
InChIKeyUTJHBKNMVJTZMY-UHFFFAOYSA-N
MW392.52 g/mol
LogP4.82
Rot. Bonds7

About 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol

4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol (PubChem CID 155541121) has the molecular formula C24H24O3S and a molecular weight of 392.52 g/mol. Its IUPAC name is 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol.

Molecular Properties

Compound Name4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
PubChem CID155541121
Molecular FormulaC24H24O3S
Molecular Weight392.52 g/mol
Exact Mass392.14
IUPAC Name4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol
SMILESCS(=O)(=O)c1ccc(C(CCCO)=C(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C24H24O3S/c1-28(26,27)22-16-14-19(15-17-22)23(13-8-18-25)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,25H,8,13,18H2,1H3
InChIKeyUTJHBKNMVJTZMY-UHFFFAOYSA-N
XLogP4.82
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.52
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 10408088
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CID 11247111
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CID 44388871
CID 44388871
CID 71812208
CID 71812208
CID 76319998
CID 76319998
CID 155567231
CID 155567231
CID 155568868
CID 155568868
CID 10426661
CID 10426661
CID 18969768
CID 18969768
CID 22225869
CID 22225869
CID 11303412
CID 11303412
CID 11430754
CID 11430754

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol?
The IUPAC name of 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol (CID 155541121) is 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol.
What is the SMILES notation for 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol?
The canonical SMILES for 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol is CS(=O)(=O)c1ccc(C(CCCO)=C(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol?
The InChIKey is UTJHBKNMVJTZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O3S/c1-28(26,27)22-16-14-19(15-17-22)23(13-8-18-25)24(20-9-4-2-5-10-20)21-11-6-3-7-12-21/h2-7,9-12,14-17,25H,8,13,18H2,1H3.
What are the key properties of 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol?
4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol has a molecular weight of 392.52 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylsulfonylphenyl)-5,5-diphenylpent-4-en-1-ol is sourced from PubChem (CID 155541121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).