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

C10H13ClO3S — CID 117374971

IUPAC3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(Cl)cc1CCCO
InChIInChI=1S/C10H13ClO3S/c1-15(13,14)10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyMEBWTCPWYJJGPK-UHFFFAOYSA-N
MW248.73 g/mol
LogP1.67
Rot. Bonds4

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

3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol (PubChem CID 117374971) has the molecular formula C10H13ClO3S and a molecular weight of 248.73 g/mol. Its IUPAC name is 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
PubChem CID117374971
Molecular FormulaC10H13ClO3S
Molecular Weight248.73 g/mol
Exact Mass248.03
IUPAC Name3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
SMILESCS(=O)(=O)c1ccc(Cl)cc1CCCO
InChIInChI=1S/C10H13ClO3S/c1-15(13,14)10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3
InChIKeyMEBWTCPWYJJGPK-UHFFFAOYSA-N
XLogP1.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-fluoro-6-(3-hydroxypropyl)-3-methylsulfonylphenol
CID 117373166
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
4-(2,5-dichlorophenyl)butan-1-ol
CID 65316386
4-chloro-2-[2-(methanesulfonamido)ethyl]benzenesulfonic acid
CID 54148909
2-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374990
3-(2,3-difluoro-5-methylsulfonylphenyl)propan-1-ol
CID 117378649
4-(5-bromo-2-methylsulfonylphenyl)butan-1-amine
CID 117491428
4-chloro-2-methylsulfonylphenol
CID 130032505
2-bromo-4-chloro-1-methylsulfonylbenzene
CID 75487839
4-(5-chloro-2-methoxyphenyl)butan-1-ol
CID 64513423
3-[(2,5-dichlorophenyl)methylsulfonyl]propan-1-ol
CID 111472477
5-chloro-2-(2-hydroxyethyl)benzenesulfonic acid
CID 87294261

Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol (CID 117374971) is 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol is CS(=O)(=O)c1ccc(Cl)cc1CCCO.
What is the InChIKey of 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol?
The InChIKey is MEBWTCPWYJJGPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3S/c1-15(13,14)10-5-4-9(11)7-8(10)3-2-6-12/h4-5,7,12H,2-3,6H2,1H3.
What are the key properties of 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol?
3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol has a molecular weight of 248.73 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117374971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).