2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol

C12H18O3 — CID 117300482

IUPAC2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(C)CO)c1C
InChIInChI=1S/C12H18O3/c1-8(7-13)12-9(2)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3
InChIKeyXUJMZUVWJGTZPN-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.11
Rot. Bonds4

About 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol

2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol (PubChem CID 117300482) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol.

Molecular Properties

Compound Name2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
PubChem CID117300482
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol
SMILESCOc1ccc(OC)c(C(C)CO)c1C
InChIInChI=1S/C12H18O3/c1-8(7-13)12-9(2)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3
InChIKeyXUJMZUVWJGTZPN-UHFFFAOYSA-N
XLogP2.11
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxypropan-2-yl)-3-methoxy-6-methylphenol
CID 117286277
2-(4-methoxy-2,3-dimethylphenyl)propan-1-ol
CID 117284779
2-(2-fluoro-3,6-dimethoxyphenyl)propan-1-ol
CID 117305436
2-(4-methoxy-2,3-dimethylphenyl)-3-methylbutan-1-ol
CID 116964236
2-(2-methoxy-6-methylsulfanylphenyl)propan-1-ol
CID 117303266
2-(2,3-dimethoxy-6-propan-2-ylphenyl)propan-1-ol
CID 117349610
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-bromo-3,4-dimethoxy-2-methylphenyl)propan-1-ol
CID 117467054
2-(6-methoxy-2,3-dimethylphenyl)propan-1-amine
CID 117284105
1-(4-methoxy-2,3-dimethylphenyl)ethane-1,2-diol
CID 82281981
3-(3-bromo-6-methoxy-2-methylphenyl)butanoic acid
CID 84813959

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol?
The IUPAC name of 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol (CID 117300482) is 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol.
What is the SMILES notation for 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol?
The canonical SMILES for 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol is COc1ccc(OC)c(C(C)CO)c1C.
What is the InChIKey of 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol?
The InChIKey is XUJMZUVWJGTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-8(7-13)12-9(2)10(14-3)5-6-11(12)15-4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol?
2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol has a molecular weight of 210.27 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,6-dimethoxy-2-methylphenyl)propan-1-ol is sourced from PubChem (CID 117300482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).