1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol

C11H15ClO4S — CID 115790708

IUPAC1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)CCS(C)(=O)=O
InChIInChI=1S/C11H15ClO4S/c1-16-11-4-3-8(12)7-9(11)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyMUQIZSJXCJCMBI-UHFFFAOYSA-N
MW278.76 g/mol
LogP1.82
Rot. Bonds5

About 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol

1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol (PubChem CID 115790708) has the molecular formula C11H15ClO4S and a molecular weight of 278.76 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
PubChem CID115790708
Molecular FormulaC11H15ClO4S
Molecular Weight278.76 g/mol
Exact Mass278.04
IUPAC Name1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol
SMILESCOc1ccc(Cl)cc1C(O)CCS(C)(=O)=O
InChIInChI=1S/C11H15ClO4S/c1-16-11-4-3-8(12)7-9(11)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3
InChIKeyMUQIZSJXCJCMBI-UHFFFAOYSA-N
XLogP1.82
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
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-(5-chloro-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 115780241
3-methylsulfonyl-1-(2,4,5-trimethoxyphenyl)propan-1-ol
CID 65148029
1-(5-bromo-2-methoxyphenyl)-4-methylsulfonylbutan-1-ol
CID 65145489
4-chloro-2-(1-chloro-2-methylsulfonylethyl)-1-methoxybenzene
CID 104546377
1-(3,4-dimethoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 55095988
1-(3-fluoro-4-methoxyphenyl)-3-methylsulfonylpropan-1-ol
CID 65151867
(1S)-1-(5-chloro-2-methoxyphenyl)but-3-en-1-ol
CID 97293631
1-(4-chloro-2-fluorophenyl)-4-methylsulfonylbutan-1-ol
CID 63192126
1-(5-bromo-2-methoxyphenyl)-4-ethylsulfonylbutan-1-ol
CID 65145596
4-methylsulfonyl-1-(2,3,4-trimethoxyphenyl)butan-1-ol
CID 65148516
1-(5-chloro-2-methoxyphenyl)-2-pyridin-4-ylethanol
CID 55116184
2-(4-bromophenyl)-1-(5-chloro-2-methoxyphenyl)ethanol
CID 62790115

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol (CID 115790708) is 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol is COc1ccc(Cl)cc1C(O)CCS(C)(=O)=O.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
The InChIKey is MUQIZSJXCJCMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClO4S/c1-16-11-4-3-8(12)7-9(11)10(13)5-6-17(2,14)15/h3-4,7,10,13H,5-6H2,1-2H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol?
1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol has a molecular weight of 278.76 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)-3-methylsulfonylpropan-1-ol is sourced from PubChem (CID 115790708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).