3-(4-phenylphenyl)sulfonylpropan-1-ol

C15H16O3S — CID 11659134

IUPAC3-(4-phenylphenyl)sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c16-11-4-12-19(17,18)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2
InChIKeyQFVQHPSSESTXRP-UHFFFAOYSA-N
MW276.36 g/mol
LogP2.51
Rot. Bonds5

About 3-(4-phenylphenyl)sulfonylpropan-1-ol

3-(4-phenylphenyl)sulfonylpropan-1-ol (PubChem CID 11659134) has the molecular formula C15H16O3S and a molecular weight of 276.36 g/mol. Its IUPAC name is 3-(4-phenylphenyl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(4-phenylphenyl)sulfonylpropan-1-ol
PubChem CID11659134
Molecular FormulaC15H16O3S
Molecular Weight276.36 g/mol
Exact Mass276.08
IUPAC Name3-(4-phenylphenyl)sulfonylpropan-1-ol
SMILESO=S(=O)(CCCO)c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C15H16O3S/c16-11-4-12-19(17,18)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2
InChIKeyQFVQHPSSESTXRP-UHFFFAOYSA-N
XLogP2.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.36
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-pentylsulfonyl-4-(4-pentylsulfonylphenyl)benzene
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6-(benzenesulfonyl)hexane-1-sulfonic acid
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3-[4-[5-(4-fluorophenyl)-1H-pyrazol-3-yl]phenyl]sulfonylpropan-1-ol
CID 70297599
4-(4-phenylphenyl)butan-1-ol
CID 11970468
1-[4-(3-hydroxypropylsulfonyl)phenyl]butan-1-one
CID 82164730
2-(3-hydroxypropylsulfonyl)benzoic acid
CID 66878034
1-(azepan-1-yl)-3-(4-phenylphenyl)sulfonylpropan-1-one
CID 110675677
6-[4-(2,4-dichlorophenyl)phenyl]sulfonylhexan-1-ol
CID 157128874
3-[4-[4-(2-carboxylatoethylsulfonyl)phenyl]phenyl]sulfonylpropanoate
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Frequently Asked Questions

What is the IUPAC name of 3-(4-phenylphenyl)sulfonylpropan-1-ol?
The IUPAC name of 3-(4-phenylphenyl)sulfonylpropan-1-ol (CID 11659134) is 3-(4-phenylphenyl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(4-phenylphenyl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(4-phenylphenyl)sulfonylpropan-1-ol is O=S(=O)(CCCO)c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 3-(4-phenylphenyl)sulfonylpropan-1-ol?
The InChIKey is QFVQHPSSESTXRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O3S/c16-11-4-12-19(17,18)15-9-7-14(8-10-15)13-5-2-1-3-6-13/h1-3,5-10,16H,4,11-12H2.
What are the key properties of 3-(4-phenylphenyl)sulfonylpropan-1-ol?
3-(4-phenylphenyl)sulfonylpropan-1-ol has a molecular weight of 276.36 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenylphenyl)sulfonylpropan-1-ol is sourced from PubChem (CID 11659134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).