2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol

C11H16O4S — CID 117362805

IUPAC2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-8(7-12)9-5-4-6-10(11(9)15-2)16(3,13)14/h4-6,8,12H,7H2,1-3H3
InChIKeyNQCJQUIAVCJDCA-UHFFFAOYSA-N
MW244.31 g/mol
LogP1.19
Rot. Bonds4

About 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol

2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol (PubChem CID 117362805) has the molecular formula C11H16O4S and a molecular weight of 244.31 g/mol. Its IUPAC name is 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
PubChem CID117362805
Molecular FormulaC11H16O4S
Molecular Weight244.31 g/mol
Exact Mass244.08
IUPAC Name2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol
SMILESCOc1c(C(C)CO)cccc1S(C)(=O)=O
InChIInChI=1S/C11H16O4S/c1-8(7-12)9-5-4-6-10(11(9)15-2)16(3,13)14/h4-6,8,12H,7H2,1-3H3
InChIKeyNQCJQUIAVCJDCA-UHFFFAOYSA-N
XLogP1.19
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-3-propan-2-ylphenyl)propan-1-ol
CID 117297911
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-methoxy-3-methylsulfonylbenzamide
CID 70437297
2-(3-methoxy-2,4-dimethylphenyl)propan-1-ol
CID 117284773
2-(4-bromo-2,3-dimethoxyphenyl)propan-1-ol
CID 117439713
2-(5-chloro-2-methylsulfonylphenyl)propan-1-ol
CID 117374990
3-(1-fluoroethyl)-2-methoxybenzenesulfonyl chloride
CID 84707702
2-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)propan-1-amine
CID 117407315
3-(2-methoxy-3-methylsulfonylphenyl)-2,2-dimethylpropanoic acid
CID 117461941
O-[2-(2-methoxy-3-methylsulfonylphenyl)ethyl]hydroxylamine
CID 117365223
1-(2,3-dimethoxy-4-methylsulfonylphenyl)propan-2-ol
CID 117438463
2-fluoro-6-(1-hydroxypropan-2-yl)-3-methylsulfonylphenol
CID 117373177

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol?
The IUPAC name of 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol (CID 117362805) is 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol.
What is the SMILES notation for 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol?
The canonical SMILES for 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol is COc1c(C(C)CO)cccc1S(C)(=O)=O.
What is the InChIKey of 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol?
The InChIKey is NQCJQUIAVCJDCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4S/c1-8(7-12)9-5-4-6-10(11(9)15-2)16(3,13)14/h4-6,8,12H,7H2,1-3H3.
What are the key properties of 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol?
2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol has a molecular weight of 244.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-methylsulfonylphenyl)propan-1-ol is sourced from PubChem (CID 117362805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).