1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol

C10H13ClO3S — CID 102550108

IUPAC1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C10H13ClO3S/c1-7(15(2,13)14)10(12)8-3-5-9(11)6-4-8/h3-7,10,12H,1-2H3
InChIKeyDZIDQDNDLSZXMN-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.81
Rot. Bonds3

About 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol

1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol (PubChem CID 102550108) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
PubChem CID102550108
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol
SMILESCC(C(O)c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C10H13ClO3S/c1-7(15(2,13)14)10(12)8-3-5-9(11)6-4-8/h3-7,10,12H,1-2H3
InChIKeyDZIDQDNDLSZXMN-UHFFFAOYSA-N
XLogP1.81
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(4-chlorophenyl)propane-1,2-diol
CID 132594901
1-(3-chlorophenyl)-2-methylsulfonylpropan-1-ol
CID 102550104
1-(3,4-dimethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521030
1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 588012
1-[4-(2-methylbutan-2-yl)phenyl]-2-methylsulfonylpropan-1-ol
CID 104521221
1-(3,4-diethylphenyl)-2-methylsulfonylpropan-1-ol
CID 104521255
acetic acid;1,2-bis(4-chlorophenyl)ethane-1,2-diol
CID 71336866
(2R,3R)-3-(4-chlorophenyl)-3-hydroxy-2-methylpropanoic acid
CID 68768818
2-amino-1-(4-chlorophenyl)-3-methylbutan-1-ol
CID 73115423
1-(4-chlorophenyl)-2-(methylamino)propan-1-ol
CID 58497080
(1S,2R)-1-(4-chlorophenyl)-2-methylpropane-1,3-diol
CID 122579159
1-(2-chlorothiophen-3-yl)-2-methylsulfonylpropan-1-ol
CID 131093260

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol (CID 102550108) is 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol is CC(C(O)c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol?
The InChIKey is DZIDQDNDLSZXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-7(15(2,13)14)10(12)8-3-5-9(11)6-4-8/h3-7,10,12H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol?
1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol has a molecular weight of 248.73 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-methylsulfonylpropan-1-ol is sourced from PubChem (CID 102550108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).