1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol

C16H18O4S — CID 106585319

IUPAC1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
SMILESCOc1ccccc1C(O)CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H18O4S/c1-12-6-5-7-13(10-12)21(18,19)11-15(17)14-8-3-4-9-16(14)20-2/h3-10,15,17H,11H2,1-2H3
InChIKeyKDDPPVGFBSAYLP-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.51
Rot. Bonds5

About 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol

1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol (PubChem CID 106585319) has the molecular formula C16H18O4S and a molecular weight of 306.38 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
PubChem CID106585319
Molecular FormulaC16H18O4S
Molecular Weight306.38 g/mol
Exact Mass306.09
IUPAC Name1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
SMILESCOc1ccccc1C(O)CS(=O)(=O)c1cccc(C)c1
InChIInChI=1S/C16H18O4S/c1-12-6-5-7-13(10-12)21(18,19)11-15(17)14-8-3-4-9-16(14)20-2/h3-10,15,17H,11H2,1-2H3
InChIKeyKDDPPVGFBSAYLP-UHFFFAOYSA-N
XLogP2.51
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(4-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585286
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
1-(methylamino)-3-(3-methylphenyl)sulfonylpropan-2-ol
CID 79022604
1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
CID 106585298
1-[(2R)-1-(benzenesulfonyl)propan-2-yl]-2-methoxy-4-methylbenzene
CID 122219944
[(2R)-2-hydroxy-2-(2-methoxyphenyl)ethyl] methanesulfonate
CID 87403011
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397
1-(2-methoxyphenyl)-2-(4-methylphenyl)ethanol
CID 15638774
4-ethylsulfonyl-1-(2-methoxyphenyl)butan-1-ol
CID 65097851
3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64698276

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol?
The IUPAC name of 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol (CID 106585319) is 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol.
What is the SMILES notation for 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol?
The canonical SMILES for 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol is COc1ccccc1C(O)CS(=O)(=O)c1cccc(C)c1.
What is the InChIKey of 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol?
The InChIKey is KDDPPVGFBSAYLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18O4S/c1-12-6-5-7-13(10-12)21(18,19)11-15(17)14-8-3-4-9-16(14)20-2/h3-10,15,17H,11H2,1-2H3.
What are the key properties of 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol?
1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol has a molecular weight of 306.38 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol is sourced from PubChem (CID 106585319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).