[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol

C14H22O4S — CID 106726317

IUPAC[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H22O4S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7,15H,8-10H2,1-4H3
InChIKeyQSDCSGHZPHNIOH-UHFFFAOYSA-N
MW286.39 g/mol
LogP2.08
Rot. Bonds5

About [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol

[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol (PubChem CID 106726317) has the molecular formula C14H22O4S and a molecular weight of 286.39 g/mol. Its IUPAC name is [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol.

Molecular Properties

Compound Name[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
PubChem CID106726317
Molecular FormulaC14H22O4S
Molecular Weight286.39 g/mol
Exact Mass286.12
IUPAC Name[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol
SMILESCc1cccc(CO)c1OCCS(=O)(=O)C(C)(C)C
InChIInChI=1S/C14H22O4S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7,15H,8-10H2,1-4H3
InChIKeyQSDCSGHZPHNIOH-UHFFFAOYSA-N
XLogP2.08
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanamine
CID 106722438
(2-decoxy-3-methylphenyl)methanol
CID 115956202
[2-[2-(dimethylamino)ethoxy]-3-methylphenyl]methanol
CID 112612503
1-(chloromethyl)-2-(2-ethylsulfonylethoxy)-3-methylbenzene
CID 112613382
1-(chloromethyl)-3-methyl-2-(2-methylsulfonylethoxy)benzene
CID 112613387
2-[2-(hydroxymethyl)-6-methylphenoxy]-N,N-dimethylacetamide
CID 112612351
[3-methyl-2-(4-phenylbutoxy)phenyl]methanol
CID 114333944
[3-methyl-2-(2-pyrrolidin-1-ylethoxy)phenyl]methanol
CID 112612262
1-(chloromethyl)-3-methyl-2-(2-propylsulfonylethoxy)benzene
CID 106726612
3-[2-(hydroxymethyl)-6-methylphenoxy]propane-1,2-diol
CID 112612371
N-[[2-(2-tert-butylsulfonylethoxy)phenyl]methyl]ethanamine
CID 106721979
N-methyl-1-[3-methyl-2-(2-propan-2-ylsulfonylethoxy)phenyl]methanamine
CID 106722446

Frequently Asked Questions

What is the IUPAC name of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol?
The IUPAC name of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol (CID 106726317) is [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol.
What is the SMILES notation for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol?
The canonical SMILES for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol is Cc1cccc(CO)c1OCCS(=O)(=O)C(C)(C)C.
What is the InChIKey of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol?
The InChIKey is QSDCSGHZPHNIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O4S/c1-11-6-5-7-12(10-15)13(11)18-8-9-19(16,17)14(2,3)4/h5-7,15H,8-10H2,1-4H3.
What are the key properties of [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol?
[2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol has a molecular weight of 286.39 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-tert-butylsulfonylethoxy)-3-methylphenyl]methanol is sourced from PubChem (CID 106726317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).