2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol

C10H13ClO3S — CID 117374989

IUPAC2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)c1cc(Cl)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H13ClO3S/c1-7(6-12)8-3-9(11)5-10(4-8)15(2,13)14/h3-5,7,12H,6H2,1-2H3
InChIKeyCXOYXYRTZWBEIF-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.84
Rot. Bonds3

About 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol

2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol (PubChem CID 117374989) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol
PubChem CID117374989
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol
SMILESCC(CO)c1cc(Cl)cc(S(C)(=O)=O)c1
InChIInChI=1S/C10H13ClO3S/c1-7(6-12)8-3-9(11)5-10(4-8)15(2,13)14/h3-5,7,12H,6H2,1-2H3
InChIKeyCXOYXYRTZWBEIF-UHFFFAOYSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dichlorophenyl)propan-1-ol
CID 130952476
ethyl 2-(3-chloro-5-methylsulfonylphenyl)-2-hydroxyacetate
CID 117472663
2-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374990
2-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378642
2-(3-chloro-5-methylsulfonylphenyl)acetic acid
CID 84706693
2-(4-chloro-3,5-difluorophenyl)propan-1-ol
CID 117295346
(2R)-2-(3,4-dichlorophenyl)propan-1-ol
CID 97044410
O-[(3-chloro-5-methylsulfonylphenyl)methyl]hydroxylamine
CID 117343929
3-chloro-N-methylidene-5-methylsulfonylbenzamide
CID 166817136
3-(3,5-dichlorophenyl)butanamide
CID 173252327
N-[(2S)-1-amino-1-oxopropan-2-yl]-3-chloro-5-methylsulfonylbenzamide
CID 152625962
(E)-3-(3-chloro-5-methylsulfonylphenyl)prop-2-en-1-amine
CID 117366846

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol (CID 117374989) is 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol is CC(CO)c1cc(Cl)cc(S(C)(=O)=O)c1.
What is the InChIKey of 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol?
The InChIKey is CXOYXYRTZWBEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-7(6-12)8-3-9(11)5-10(4-8)15(2,13)14/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol?
2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol has a molecular weight of 248.73 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-5-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117374989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).