(2-methylsulfinyl-4-propoxyphenyl)methanol

C11H16O3S — CID 134112802

IUPAC(2-methylsulfinyl-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(CO)c(S(C)=O)c1
InChIInChI=1S/C11H16O3S/c1-3-6-14-10-5-4-9(8-12)11(7-10)15(2)13/h4-5,7,12H,3,6,8H2,1-2H3
InChIKeyAZJRIDJNTNRZCE-UHFFFAOYSA-N
MW228.31 g/mol
LogP1.71
Rot. Bonds5

About (2-methylsulfinyl-4-propoxyphenyl)methanol

(2-methylsulfinyl-4-propoxyphenyl)methanol (PubChem CID 134112802) has the molecular formula C11H16O3S and a molecular weight of 228.31 g/mol. Its IUPAC name is (2-methylsulfinyl-4-propoxyphenyl)methanol.

Molecular Properties

Compound Name(2-methylsulfinyl-4-propoxyphenyl)methanol
PubChem CID134112802
Molecular FormulaC11H16O3S
Molecular Weight228.31 g/mol
Exact Mass228.08
IUPAC Name(2-methylsulfinyl-4-propoxyphenyl)methanol
SMILESCCCOc1ccc(CO)c(S(C)=O)c1
InChIInChI=1S/C11H16O3S/c1-3-6-14-10-5-4-9(8-12)11(7-10)15(2)13/h4-5,7,12H,3,6,8H2,1-2H3
InChIKeyAZJRIDJNTNRZCE-UHFFFAOYSA-N
XLogP1.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-phenyl-4-propoxyphenyl)methanol
CID 134112799
2-chloro-1-ethyl-4-propoxybenzene
CID 21064447
2-[2-(hydroxymethyl)-5-propoxyphenoxy]-N-methylacetamide
CID 43472225
[4-propoxy-2-(2-propylsulfonylethoxy)phenyl]methanol
CID 106726141
(2,4-dipentoxyphenyl)methanol
CID 54794877
(2-cyclopentyloxy-4-propoxyphenyl)methanol
CID 43472228
2-[4-ethyl-3-(2-hydroxyethoxy)phenoxy]ethanol
CID 23651183
[2-[2-(2-methylpropoxy)ethoxy]-4-propoxyphenyl]methanol
CID 106453700
[4-bromo-2-(4-propoxyphenoxy)phenyl]methanol
CID 43174104
2-chloro-1-(2-ethyl-4-propoxyphenyl)ethanone
CID 82267367
[4-propoxy-2-(3-pyrrolidin-1-ylpropoxy)phenyl]methanol
CID 61494348
(2-amino-4-propoxyphenyl) hydrogen sulfite
CID 67094092

Frequently Asked Questions

What is the IUPAC name of (2-methylsulfinyl-4-propoxyphenyl)methanol?
The IUPAC name of (2-methylsulfinyl-4-propoxyphenyl)methanol (CID 134112802) is (2-methylsulfinyl-4-propoxyphenyl)methanol.
What is the SMILES notation for (2-methylsulfinyl-4-propoxyphenyl)methanol?
The canonical SMILES for (2-methylsulfinyl-4-propoxyphenyl)methanol is CCCOc1ccc(CO)c(S(C)=O)c1.
What is the InChIKey of (2-methylsulfinyl-4-propoxyphenyl)methanol?
The InChIKey is AZJRIDJNTNRZCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3S/c1-3-6-14-10-5-4-9(8-12)11(7-10)15(2)13/h4-5,7,12H,3,6,8H2,1-2H3.
What are the key properties of (2-methylsulfinyl-4-propoxyphenyl)methanol?
(2-methylsulfinyl-4-propoxyphenyl)methanol has a molecular weight of 228.31 g/mol, XLogP of 1.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfinyl-4-propoxyphenyl)methanol is sourced from PubChem (CID 134112802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).