5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol

C24H26O3S — CID 59495191

IUPAC5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol
SMILESCS(=O)(=O)c1cccc(-c2ccc(CCCCC(O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H26O3S/c1-28(26,27)23-12-7-11-22(18-23)20-16-14-19(15-17-20)8-5-6-13-24(25)21-9-3-2-4-10-21/h2-4,7,9-12,14-18,24-25H,5-6,8,13H2,1H3
InChIKeyXKLXCINKGAJYKB-UHFFFAOYSA-N
MW394.54 g/mol
LogP5.20
Rot. Bonds8

About 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol

5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol (PubChem CID 59495191) has the molecular formula C24H26O3S and a molecular weight of 394.54 g/mol. Its IUPAC name is 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol.

Molecular Properties

Compound Name5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol
PubChem CID59495191
Molecular FormulaC24H26O3S
Molecular Weight394.54 g/mol
Exact Mass394.16
IUPAC Name5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol
SMILESCS(=O)(=O)c1cccc(-c2ccc(CCCCC(O)c3ccccc3)cc2)c1
InChIInChI=1S/C24H26O3S/c1-28(26,27)23-12-7-11-22(18-23)20-16-14-19(15-17-20)8-5-6-13-24(25)21-9-3-2-4-10-21/h2-4,7,9-12,14-18,24-25H,5-6,8,13H2,1H3
InChIKeyXKLXCINKGAJYKB-UHFFFAOYSA-N
XLogP5.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methylsulfonylphenyl)-3-phenylpropan-1-ol
CID 114979015
1-(3-methylsulfonylphenyl)-4-phenylbutan-1-amine
CID 115849458
1-(3-methylsulfonylphenyl)heptan-1-ol
CID 115783497
1-(3-methylsulfonylphenyl)nonan-1-ol
CID 115784026
1-(3-methylsulfonylphenyl)-2-phenylethanol
CID 114976498
4-methylsulfonyl-1-(4-phenylphenyl)butan-1-ol
CID 65148469
(1R)-2-[[(2S)-4-(4-methylsulfonylphenyl)butan-2-yl]amino]-1-phenylethanol;hydrochloride
CID 70469832
methyl (2S)-2-amino-3-[4-(3-methylsulfonylphenyl)phenyl]propanoate
CID 166449666
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
(1R)-1-[3-(3-methylsulfonylphenyl)phenyl]ethanamine
CID 171383542
4-(4-tert-butylphenyl)-1-phenylbutan-1-ol
CID 64513068
(4-phenylphenyl)methyl 3-methylsulfonylbenzoate
CID 18155710

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol?
The IUPAC name of 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol (CID 59495191) is 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol.
What is the SMILES notation for 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol?
The canonical SMILES for 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol is CS(=O)(=O)c1cccc(-c2ccc(CCCCC(O)c3ccccc3)cc2)c1.
What is the InChIKey of 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol?
The InChIKey is XKLXCINKGAJYKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O3S/c1-28(26,27)23-12-7-11-22(18-23)20-16-14-19(15-17-20)8-5-6-13-24(25)21-9-3-2-4-10-21/h2-4,7,9-12,14-18,24-25H,5-6,8,13H2,1H3.
What are the key properties of 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol?
5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol has a molecular weight of 394.54 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-methylsulfonylphenyl)phenyl]-1-phenylpentan-1-ol is sourced from PubChem (CID 59495191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).