(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol

C15H24O5S — CID 106726236

IUPAC(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H24O5S/c1-11(16)12-6-7-13(14(10-12)19-5)20-8-9-21(17,18)15(2,3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyFBRXHJXSBJYJCD-LLVKDONJSA-N
MW316.42 g/mol
LogP2.34
Rot. Bonds6

About (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol

(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol (PubChem CID 106726236) has the molecular formula C15H24O5S and a molecular weight of 316.42 g/mol. Its IUPAC name is (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
PubChem CID106726236
Molecular FormulaC15H24O5S
Molecular Weight316.42 g/mol
Exact Mass316.13
IUPAC Name(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol
SMILESCOc1cc([C@@H](C)O)ccc1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C15H24O5S/c1-11(16)12-6-7-13(14(10-12)19-5)20-8-9-21(17,18)15(2,3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1
InChIKeyFBRXHJXSBJYJCD-LLVKDONJSA-N
XLogP2.34
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(1S)-1-[4-(2-tert-butylsulfonylethoxy)-3-chlorophenyl]ethanol
CID 106726351
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylbutan-2-ol
CID 79355074
(1S)-1-[3-methoxy-4-(3-methoxy-3-methylbutoxy)phenyl]ethanol
CID 103034187
(1S)-1-(4-butoxy-3-methoxyphenyl)ethanol
CID 63364662
(1R)-1-[3-(2-tert-butylsulfonylethoxy)phenyl]ethanol
CID 106726253
4-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]butan-1-ol
CID 55188992
1-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2-methylpropan-2-ol
CID 63364683
(1S)-1-[3-methoxy-4-[2-(trifluoromethoxy)ethoxy]phenyl]ethanol
CID 79016651
1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]-N-methylmethanamine
CID 106722034
3-[4-[(1R)-1-hydroxyethyl]-2-methoxyphenoxy]-2,2-dimethylpropanoic acid
CID 79624742
(1R)-1-[3-methoxy-4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]ethanol
CID 63364673
(1R)-1-[3-methoxy-4-(methoxymethoxy)phenyl]ethanol
CID 65364454

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol?
The IUPAC name of (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol (CID 106726236) is (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol.
What is the SMILES notation for (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol?
The canonical SMILES for (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol is COc1cc([C@@H](C)O)ccc1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol?
The InChIKey is FBRXHJXSBJYJCD-LLVKDONJSA-N. The full InChI is InChI=1S/C15H24O5S/c1-11(16)12-6-7-13(14(10-12)19-5)20-8-9-21(17,18)15(2,3)4/h6-7,10-11,16H,8-9H2,1-5H3/t11-/m1/s1.
What are the key properties of (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol?
(1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol has a molecular weight of 316.42 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(2-tert-butylsulfonylethoxy)-3-methoxyphenyl]ethanol is sourced from PubChem (CID 106726236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).