1-(2-methoxy-3,6-dimethylphenyl)ethanol

C11H16O2 — CID 117278453

IUPAC1-(2-methoxy-3,6-dimethylphenyl)ethanol
SMILESCOc1c(C)ccc(C)c1C(C)O
InChIInChI=1S/C11H16O2/c1-7-5-6-8(2)11(13-4)10(7)9(3)12/h5-6,9,12H,1-4H3
InChIKeySIPIOWBGQGVTNN-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.37
Rot. Bonds2

About 1-(2-methoxy-3,6-dimethylphenyl)ethanol

1-(2-methoxy-3,6-dimethylphenyl)ethanol (PubChem CID 117278453) has the molecular formula C11H16O2 and a molecular weight of 180.25 g/mol. Its IUPAC name is 1-(2-methoxy-3,6-dimethylphenyl)ethanol.

Molecular Properties

Compound Name1-(2-methoxy-3,6-dimethylphenyl)ethanol
PubChem CID117278453
Molecular FormulaC11H16O2
Molecular Weight180.25 g/mol
Exact Mass180.12
IUPAC Name1-(2-methoxy-3,6-dimethylphenyl)ethanol
SMILESCOc1c(C)ccc(C)c1C(C)O
InChIInChI=1S/C11H16O2/c1-7-5-6-8(2)11(13-4)10(7)9(3)12/h5-6,9,12H,1-4H3
InChIKeySIPIOWBGQGVTNN-UHFFFAOYSA-N
XLogP2.37
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
1-(3-bromo-2-methoxy-6-methylphenyl)ethanol
CID 84704881
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 117297929
1-(2-bromo-3-methoxy-4-methylphenyl)ethanol
CID 117364093
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
2,3-bis(1-hydroxyethyl)-4-methylphenol
CID 22486739
1-(3,6-difluoro-2-methoxyphenyl)ethanol
CID 84661307
2-(3-bromo-2-methoxy-6-methylphenyl)propan-1-ol
CID 117401024
2-(3-methoxy-4-methyl-2-propan-2-ylphenyl)propan-1-amine
CID 117317005
1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)cyclopropan-1-amine
CID 84786994
3-cyclopropyl-3-(2-methoxy-3,6-dimethylphenyl)propanoic acid
CID 117373940
1-(6-bromo-3-fluoro-2-methoxyphenyl)ethanol
CID 84706864

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-3,6-dimethylphenyl)ethanol?
The IUPAC name of 1-(2-methoxy-3,6-dimethylphenyl)ethanol (CID 117278453) is 1-(2-methoxy-3,6-dimethylphenyl)ethanol.
What is the SMILES notation for 1-(2-methoxy-3,6-dimethylphenyl)ethanol?
The canonical SMILES for 1-(2-methoxy-3,6-dimethylphenyl)ethanol is COc1c(C)ccc(C)c1C(C)O.
What is the InChIKey of 1-(2-methoxy-3,6-dimethylphenyl)ethanol?
The InChIKey is SIPIOWBGQGVTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2/c1-7-5-6-8(2)11(13-4)10(7)9(3)12/h5-6,9,12H,1-4H3.
What are the key properties of 1-(2-methoxy-3,6-dimethylphenyl)ethanol?
1-(2-methoxy-3,6-dimethylphenyl)ethanol has a molecular weight of 180.25 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-3,6-dimethylphenyl)ethanol is sourced from PubChem (CID 117278453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).