2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol

C11H16O3 — CID 117286277

IUPAC2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
SMILESCOc1ccc(C)c(O)c1C(C)CO
InChIInChI=1S/C11H16O3/c1-7-4-5-9(14-3)10(11(7)13)8(2)6-12/h4-5,8,12-13H,6H2,1-3H3
InChIKeyZPGMZTPSXUVWAF-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.81
Rot. Bonds3

About 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol

2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol (PubChem CID 117286277) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol.

Molecular Properties

Compound Name2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
PubChem CID117286277
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
SMILESCOc1ccc(C)c(O)c1C(C)CO
InChIInChI=1S/C11H16O3/c1-7-4-5-9(14-3)10(11(7)13)8(2)6-12/h4-5,8,12-13H,6H2,1-3H3
InChIKeyZPGMZTPSXUVWAF-UHFFFAOYSA-N
XLogP1.81
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
CID 117300482
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
2-chloro-3-(1-hydroxypropan-2-yl)-6-methoxy-4-methylphenol
CID 117333428
6-(1-hydroxypropan-2-yl)-2,3-dimethoxyphenol
CID 117303009
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
2-(5-methoxy-1,3-benzodioxol-4-yl)propan-1-ol
CID 117300233
2-[2-(fluoromethyl)-6-methoxyphenyl]propan-1-ol
CID 117287951
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
2-(2-bromo-3,4-dimethoxy-6-methylphenyl)propan-1-ol
CID 117467053

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol?
The IUPAC name of 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol (CID 117286277) is 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol.
What is the SMILES notation for 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol?
The canonical SMILES for 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol is COc1ccc(C)c(O)c1C(C)CO.
What is the InChIKey of 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol?
The InChIKey is ZPGMZTPSXUVWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-4-5-9(14-3)10(11(7)13)8(2)6-12/h4-5,8,12-13H,6H2,1-3H3.
What are the key properties of 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol?
2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol has a molecular weight of 196.25 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol is sourced from PubChem (CID 117286277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).