ethane;2-(3-methylsulfinylphenyl)propan-2-ol

C12H20O2S — CID 143801460

IUPACethane;2-(3-methylsulfinylphenyl)propan-2-ol
SMILESCC.CS(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C10H14O2S.C2H6/c1-10(2,11)8-5-4-6-9(7-8)13(3)12;1-2/h4-7,11H,1-3H3;1-2H3
InChIKeyPNPIDBPOKXSQFM-UHFFFAOYSA-N
MW228.36 g/mol
LogP2.68
Rot. Bonds2

About ethane;2-(3-methylsulfinylphenyl)propan-2-ol

ethane;2-(3-methylsulfinylphenyl)propan-2-ol (PubChem CID 143801460) has the molecular formula C12H20O2S and a molecular weight of 228.36 g/mol. Its IUPAC name is ethane;2-(3-methylsulfinylphenyl)propan-2-ol.

Molecular Properties

Compound Nameethane;2-(3-methylsulfinylphenyl)propan-2-ol
PubChem CID143801460
Molecular FormulaC12H20O2S
Molecular Weight228.36 g/mol
Exact Mass228.12
IUPAC Nameethane;2-(3-methylsulfinylphenyl)propan-2-ol
SMILESCC.CS(=O)c1cccc(C(C)(C)O)c1
InChIInChI=1S/C10H14O2S.C2H6/c1-10(2,11)8-5-4-6-9(7-8)13(3)12;1-2/h4-7,11H,1-3H3;1-2H3
InChIKeyPNPIDBPOKXSQFM-UHFFFAOYSA-N
XLogP2.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.36
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-amino-4-methylsulfinylphenyl)propan-2-ol
CID 166462037
1-tert-butyl-3-ethylsulfinylbenzene
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CID 23570047
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]-N-[3-(2-hydroxypropan-2-yl)phenyl]sulfinylacetamide
CID 153389582
[3-(2-hydroxypropan-2-yl)phenyl]-[4-(2-hydroxypropan-2-yl)phenyl]methanone
CID 66721962
2-[3-(fluoromethyl)phenyl]propan-2-ol
CID 12844398
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
CID 53444038
CID 53444038
(2S)-2-amino-3,3-dimethyl-N-(3-methylsulfinylphenyl)butanamide;hydrochloride
CID 119743912
2-amino-2-[3-(2-hydroxypropan-2-yl)phenyl]acetic acid
CID 117115033
4-methylsulfinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 51191508
2-[3-(2,2,2-trifluoroethyl)phenyl]propan-2-ol
CID 117310696

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-methylsulfinylphenyl)propan-2-ol?
The IUPAC name of ethane;2-(3-methylsulfinylphenyl)propan-2-ol (CID 143801460) is ethane;2-(3-methylsulfinylphenyl)propan-2-ol.
What is the SMILES notation for ethane;2-(3-methylsulfinylphenyl)propan-2-ol?
The canonical SMILES for ethane;2-(3-methylsulfinylphenyl)propan-2-ol is CC.CS(=O)c1cccc(C(C)(C)O)c1.
What is the InChIKey of ethane;2-(3-methylsulfinylphenyl)propan-2-ol?
The InChIKey is PNPIDBPOKXSQFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14O2S.C2H6/c1-10(2,11)8-5-4-6-9(7-8)13(3)12;1-2/h4-7,11H,1-3H3;1-2H3.
What are the key properties of ethane;2-(3-methylsulfinylphenyl)propan-2-ol?
ethane;2-(3-methylsulfinylphenyl)propan-2-ol has a molecular weight of 228.36 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-methylsulfinylphenyl)propan-2-ol is sourced from PubChem (CID 143801460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).