1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol

C11H15ClO4S — CID 104521148

IUPAC1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClO4S/c1-7(17(3,14)15)11(13)9-5-4-8(16-2)6-10(9)12/h4-7,11,13H,1-3H3
InChIKeyIFFRCAHORLLIKZ-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.82
Rot. Bonds4

About 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol

1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol (PubChem CID 104521148) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
PubChem CID104521148
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol
SMILESCOc1ccc(C(O)C(C)S(C)(=O)=O)c(Cl)c1
InChIInChI=1S/C11H15ClO4S/c1-7(17(3,14)15)11(13)9-5-4-8(16-2)6-10(9)12/h4-7,11,13H,1-3H3
InChIKeyIFFRCAHORLLIKZ-UHFFFAOYSA-N
XLogP1.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.76
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-methoxy-2-methylphenyl)-2-methylsulfonylpropan-1-ol
CID 113422305
2-chloro-1-(2-chloro-4-methoxyphenyl)propan-1-ol
CID 116863695
3-(2-chloro-4-methoxyphenyl)-2,3-dihydroxypropanoic acid
CID 170823843
1-(2-chloro-4-methoxyphenyl)propane-1,2,3-triol
CID 170817734
2-(2-chloro-4-methoxyphenyl)-3-methylbutanoic acid
CID 82293515
1-(2-chloro-4-methoxyphenyl)-2,2,2-trifluoroethanol
CID 61081677
(2-chloro-4-methoxyphenyl)-(2-chlorophenyl)methanol
CID 61081100
(2-chloro-4-methoxyphenyl)methanediamine
CID 116939187
chloro-(2-chloro-4-methoxyphenyl)methanamine
CID 116947787
1-[1-(2-chloro-4-methoxyphenyl)ethyl]azetidine
CID 175883284
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
1-amino-4-(2-chloro-4-methoxyphenyl)hexan-2-ol
CID 83942504

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol (CID 104521148) is 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol is COc1ccc(C(O)C(C)S(C)(=O)=O)c(Cl)c1.
What is the InChIKey of 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol?
The InChIKey is IFFRCAHORLLIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c1-7(17(3,14)15)11(13)9-5-4-8(16-2)6-10(9)12/h4-7,11,13H,1-3H3.
What are the key properties of 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol?
1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol has a molecular weight of 278.76 g/mol, XLogP of 1.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-methoxyphenyl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 104521148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).