2-(3-ethylphenyl)sulfonylethanol

C10H14O3S — CID 71143156

IUPAC2-(3-ethylphenyl)sulfonylethanol
SMILESCCc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H14O3S/c1-2-9-4-3-5-10(8-9)14(12,13)7-6-11/h3-5,8,11H,2,6-7H2,1H3
InChIKeyNULGVHQDHGEGBZ-UHFFFAOYSA-N
MW214.29 g/mol
LogP1.01
Rot. Bonds4

About 2-(3-ethylphenyl)sulfonylethanol

2-(3-ethylphenyl)sulfonylethanol (PubChem CID 71143156) has the molecular formula C10H14O3S and a molecular weight of 214.29 g/mol. Its IUPAC name is 2-(3-ethylphenyl)sulfonylethanol.

Molecular Properties

Compound Name2-(3-ethylphenyl)sulfonylethanol
PubChem CID71143156
Molecular FormulaC10H14O3S
Molecular Weight214.29 g/mol
Exact Mass214.07
IUPAC Name2-(3-ethylphenyl)sulfonylethanol
SMILESCCc1cccc(S(=O)(=O)CCO)c1
InChIInChI=1S/C10H14O3S/c1-2-9-4-3-5-10(8-9)14(12,13)7-6-11/h3-5,8,11H,2,6-7H2,1H3
InChIKeyNULGVHQDHGEGBZ-UHFFFAOYSA-N
XLogP1.01
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.29
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-hydroxyethylsulfonyl)phenyl]propan-1-one
CID 66838699
2-(3-propan-2-ylphenyl)sulfonylethanol
CID 90145821
(3-propylsulfonylphenyl)methanamine
CID 83926717
2-(3-hydrazinylphenyl)sulfonylethanol
CID 18959871
ethyl 3-ethylbenzenesulfonate
CID 22762316
2-(3-methylsulfonylphenyl)ethanol
CID 68870168
propan-2-yl 3-ethylbenzenesulfonate
CID 22436829
[3-(2-fluoroethylsulfonyl)phenyl]methanamine
CID 84682681
4-[2-(3-ethylphenoxy)ethylsulfonyl]aniline
CID 39436109
N-[2-(dimethylamino)ethyl]-3-ethyl-N-methylbenzenesulfonamide
CID 71155043
1-ethyl-3-[[4-(4-methylphenyl)phenyl]sulfonylmethyl]benzene
CID 157421364
N-cyclopropyl-3-ethylbenzenesulfonamide
CID 70914015

Frequently Asked Questions

What is the IUPAC name of 2-(3-ethylphenyl)sulfonylethanol?
The IUPAC name of 2-(3-ethylphenyl)sulfonylethanol (CID 71143156) is 2-(3-ethylphenyl)sulfonylethanol.
What is the SMILES notation for 2-(3-ethylphenyl)sulfonylethanol?
The canonical SMILES for 2-(3-ethylphenyl)sulfonylethanol is CCc1cccc(S(=O)(=O)CCO)c1.
What is the InChIKey of 2-(3-ethylphenyl)sulfonylethanol?
The InChIKey is NULGVHQDHGEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O3S/c1-2-9-4-3-5-10(8-9)14(12,13)7-6-11/h3-5,8,11H,2,6-7H2,1H3.
What are the key properties of 2-(3-ethylphenyl)sulfonylethanol?
2-(3-ethylphenyl)sulfonylethanol has a molecular weight of 214.29 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethylphenyl)sulfonylethanol is sourced from PubChem (CID 71143156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).