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

C10H14O4S — CID 18411970

IUPAC3-(4-methoxyphenyl)sulfonylpropan-1-ol
SMILESCOc1ccc(S(=O)(=O)CCCO)cc1
InChIInChI=1S/C10H14O4S/c1-14-9-3-5-10(6-4-9)15(12,13)8-2-7-11/h3-6,11H,2,7-8H2,1H3
InChIKeyQTKYXMGDLORVEW-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.85
Rot. Bonds5

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

3-(4-methoxyphenyl)sulfonylpropan-1-ol (PubChem CID 18411970) has the molecular formula C10H14O4S and a molecular weight of 230.28 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)sulfonylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)sulfonylpropan-1-ol
PubChem CID18411970
Molecular FormulaC10H14O4S
Molecular Weight230.28 g/mol
Exact Mass230.06
IUPAC Name3-(4-methoxyphenyl)sulfonylpropan-1-ol
SMILESCOc1ccc(S(=O)(=O)CCCO)cc1
InChIInChI=1S/C10H14O4S/c1-14-9-3-5-10(6-4-9)15(12,13)8-2-7-11/h3-6,11H,2,7-8H2,1H3
InChIKeyQTKYXMGDLORVEW-UHFFFAOYSA-N
XLogP0.85
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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3-(4-phenylphenyl)sulfonylpropan-1-ol
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4-(4-methoxyphenyl)sulfonyl-2-methylbutan-2-amine
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1-(2-azidoethylsulfonyl)-4-methoxybenzene
CID 61396962
3-(4-methoxy-3,5-dimethylphenyl)sulfonylpropan-1-ol
CID 116853242
4-(4-methoxyphenyl)sulfonyl-N-(4-methylphenyl)butanamide
CID 41273873
N-(4-fluorophenyl)-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273900
N-[2-(4-methoxyphenyl)sulfonylethyl]-2,2-dimethylpropanamide
CID 54774387
1-methoxy-4-(trifluoromethylsulfonylmethylsulfonyl)benzene
CID 1482939
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)sulfonylpropan-1-ol?
The IUPAC name of 3-(4-methoxyphenyl)sulfonylpropan-1-ol (CID 18411970) is 3-(4-methoxyphenyl)sulfonylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)sulfonylpropan-1-ol?
The canonical SMILES for 3-(4-methoxyphenyl)sulfonylpropan-1-ol is COc1ccc(S(=O)(=O)CCCO)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)sulfonylpropan-1-ol?
The InChIKey is QTKYXMGDLORVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O4S/c1-14-9-3-5-10(6-4-9)15(12,13)8-2-7-11/h3-6,11H,2,7-8H2,1H3.
What are the key properties of 3-(4-methoxyphenyl)sulfonylpropan-1-ol?
3-(4-methoxyphenyl)sulfonylpropan-1-ol has a molecular weight of 230.28 g/mol, XLogP of 0.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)sulfonylpropan-1-ol is sourced from PubChem (CID 18411970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).