ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol

C13H24O3S — CID 143418064

IUPACethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC.CC.C[C@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H12O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-7,10H,1-2H3;2*1-2H3/t7-;;/m0../s1
InChIKeyHFSIGMGWCRZVIE-KLXURFKVSA-N
MW260.40 g/mol
LogP3.20
Rot. Bonds2

About ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol

ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol (PubChem CID 143418064) has the molecular formula C13H24O3S and a molecular weight of 260.40 g/mol. Its IUPAC name is ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol.

Molecular Properties

Compound Nameethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
PubChem CID143418064
Molecular FormulaC13H24O3S
Molecular Weight260.40 g/mol
Exact Mass260.14
IUPAC Nameethane;(1S)-1-(4-methylsulfonylphenyl)ethanol
SMILESCC.CC.C[C@H](O)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C9H12O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-7,10H,1-2H3;2*1-2H3/t7-;;/m0../s1
InChIKeyHFSIGMGWCRZVIE-KLXURFKVSA-N
XLogP3.20
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

sodium 4-(1-hydroxyethyl)benzenesulfonate
CID 23692461
amino-(4-methylsulfonylphenyl)methanol
CID 116939660
chloro-(4-methylsulfonylphenyl)methanol
CID 172793429
2-bromo-1-(4-methylsulfonylphenyl)ethanol
CID 13337385
1-(4-methylsulfonylphenyl)ethanethiol
CID 43124121
(1R,2S)-3-fluoro-2-methyl-1-(4-methylsulfonylphenyl)propan-1-ol
CID 59667462
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenyl)sulfanylphenyl]ethanol
CID 78951660
(4-methylsulfonylphenyl)-(4-propan-2-ylphenyl)methanone
CID 43625045
1-(4-methylsulfonylphenyl)ethyl acetate
CID 174500289
2-ethyl-1-(4-methylsulfonylphenyl)butan-1-ol
CID 115821895
(1R)-1-[3-fluoro-4-(4-methylsulfonylphenoxy)phenyl]ethanol
CID 63374650
(1S)-1-[4-(4-methylsulfonylpyrazol-1-yl)phenyl]ethanol
CID 165472374

Frequently Asked Questions

What is the IUPAC name of ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol?
The IUPAC name of ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol (CID 143418064) is ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol.
What is the SMILES notation for ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol?
The canonical SMILES for ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol is CC.CC.C[C@H](O)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol?
The InChIKey is HFSIGMGWCRZVIE-KLXURFKVSA-N. The full InChI is InChI=1S/C9H12O3S.2C2H6/c1-7(10)8-3-5-9(6-4-8)13(2,11)12;2*1-2/h3-7,10H,1-2H3;2*1-2H3/t7-;;/m0../s1.
What are the key properties of ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol?
ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol has a molecular weight of 260.40 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(1S)-1-(4-methylsulfonylphenyl)ethanol is sourced from PubChem (CID 143418064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).