(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol

C14H22O5S — CID 106726310

IUPAC(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H22O5S/c1-10(2)20(16,17)8-7-19-14-9-12(18-4)5-6-13(14)11(3)15/h5-6,9-11,15H,7-8H2,1-4H3/t11-/m0/s1
InChIKeyDWSPWLGSDALWNE-NSHDSACASA-N
MW302.39 g/mol
LogP1.95
Rot. Bonds7

About (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol

(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol (PubChem CID 106726310) has the molecular formula C14H22O5S and a molecular weight of 302.39 g/mol. Its IUPAC name is (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol.

Molecular Properties

Compound Name(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
PubChem CID106726310
Molecular FormulaC14H22O5S
Molecular Weight302.39 g/mol
Exact Mass302.12
IUPAC Name(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol
SMILESCOc1ccc([C@H](C)O)c(OCCS(=O)(=O)C(C)C)c1
InChIInChI=1S/C14H22O5S/c1-10(2)20(16,17)8-7-19-14-9-12(18-4)5-6-13(14)11(3)15/h5-6,9-11,15H,7-8H2,1-4H3/t11-/m0/s1
InChIKeyDWSPWLGSDALWNE-NSHDSACASA-N
XLogP1.95
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.39
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-methoxy-2-propoxyphenyl)ethanol
CID 45157126
(1R)-1-[2-(2-fluoroethoxy)-4-methoxyphenyl]ethanol
CID 82001883
3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propan-1-ol
CID 82001079
5-methoxy-2-(2-propan-2-ylsulfonylethoxy)benzoic acid
CID 106721778
(1S)-1-(4-methoxy-2-pentoxyphenyl)ethanol
CID 82001094
(1R)-1-[4-methoxy-2-(4-methylpentoxy)phenyl]ethanol
CID 83158123
methyl 3-[2-(1-hydroxyethyl)-5-methoxyphenoxy]propanoate
CID 82001396
1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]propan-2-amine
CID 106728377
1-(2-heptoxy-4-methoxyphenyl)ethanol
CID 82001545
1-[2-(2-ethoxyethoxy)-4-methoxyphenyl]ethanol
CID 82001084
(1R)-1-[2-[2-(2-hydroxyethoxy)ethoxy]-4-methoxyphenyl]ethanol
CID 82001346
(1R)-1-[4-methoxy-2-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034207

Frequently Asked Questions

What is the IUPAC name of (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol?
The IUPAC name of (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol (CID 106726310) is (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol.
What is the SMILES notation for (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol?
The canonical SMILES for (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol is COc1ccc([C@H](C)O)c(OCCS(=O)(=O)C(C)C)c1.
What is the InChIKey of (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol?
The InChIKey is DWSPWLGSDALWNE-NSHDSACASA-N. The full InChI is InChI=1S/C14H22O5S/c1-10(2)20(16,17)8-7-19-14-9-12(18-4)5-6-13(14)11(3)15/h5-6,9-11,15H,7-8H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol?
(1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol has a molecular weight of 302.39 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[4-methoxy-2-(2-propan-2-ylsulfonylethoxy)phenyl]ethanol is sourced from PubChem (CID 106726310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).