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

C12H16O3S — CID 106585298

IUPAC1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
SMILESCc1cccc(S(=O)(=O)CC(O)C2CC2)c1
InChIInChI=1S/C12H16O3S/c1-9-3-2-4-11(7-9)16(14,15)8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyABZGIDGUNWBJCV-UHFFFAOYSA-N
MW240.32 g/mol
LogP1.54
Rot. Bonds4

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

1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol (PubChem CID 106585298) has the molecular formula C12H16O3S and a molecular weight of 240.32 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
PubChem CID106585298
Molecular FormulaC12H16O3S
Molecular Weight240.32 g/mol
Exact Mass240.08
IUPAC Name1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol
SMILESCc1cccc(S(=O)(=O)CC(O)C2CC2)c1
InChIInChI=1S/C12H16O3S/c1-9-3-2-4-11(7-9)16(14,15)8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3
InChIKeyABZGIDGUNWBJCV-UHFFFAOYSA-N
XLogP1.54
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 106585025
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CID 106585286
1-(2-methylphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585310
1-(2,2-dimethoxyethylsulfonyl)-3-methylbenzene
CID 66222400
1-(2-bromo-3,3,3-trifluoropropyl)sulfonyl-3-methylbenzene
CID 64758113
1-(2-methoxyphenyl)-2-(3-methylphenyl)sulfonylethanol
CID 106585319
N-[2-(3-methylphenyl)sulfonyl-1-(oxolan-3-yl)ethyl]propan-1-amine
CID 104754220
N-[(3-methylphenyl)sulfonylmethyl]propan-2-amine
CID 117036397
1-cyclopropyl-2-(3-methylphenyl)sulfanylethanol
CID 66087943
2-(3-methylphenyl)-1-(4-propan-2-ylcyclohexyl)ethanol
CID 65424884
3-(3-methylphenyl)sulfonyl-2-phenylpropan-1-amine
CID 64698276

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol?
The IUPAC name of 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol (CID 106585298) is 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol.
What is the SMILES notation for 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol?
The canonical SMILES for 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol is Cc1cccc(S(=O)(=O)CC(O)C2CC2)c1.
What is the InChIKey of 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol?
The InChIKey is ABZGIDGUNWBJCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3S/c1-9-3-2-4-11(7-9)16(14,15)8-12(13)10-5-6-10/h2-4,7,10,12-13H,5-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol?
1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol has a molecular weight of 240.32 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-methylphenyl)sulfonylethanol is sourced from PubChem (CID 106585298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).