2-(3,6-dimethoxy-2-methylphenyl)ethanol

C11H16O3 — CID 117286361

IUPAC2-(3,6-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(OC)c(CCO)c1C
InChIInChI=1S/C11H16O3/c1-8-9(6-7-12)11(14-3)5-4-10(8)13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyCALMIMGPQGVSKB-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.55
Rot. Bonds4

About 2-(3,6-dimethoxy-2-methylphenyl)ethanol

2-(3,6-dimethoxy-2-methylphenyl)ethanol (PubChem CID 117286361) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(3,6-dimethoxy-2-methylphenyl)ethanol.

Molecular Properties

Compound Name2-(3,6-dimethoxy-2-methylphenyl)ethanol
PubChem CID117286361
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name2-(3,6-dimethoxy-2-methylphenyl)ethanol
SMILESCOc1ccc(OC)c(CCO)c1C
InChIInChI=1S/C11H16O3/c1-8-9(6-7-12)11(14-3)5-4-10(8)13-2/h4-5,12H,6-7H2,1-3H3
InChIKeyCALMIMGPQGVSKB-UHFFFAOYSA-N
XLogP1.55
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-6-methylphenyl)ethanol
CID 15742838
2-amino-3-(2-hydroxyethyl)-4-methoxyphenol
CID 54447176
3-(2-ethyl-3,6-dimethoxyphenyl)propan-1-ol
CID 117322230
2-(3-bromo-2-fluoro-6-methoxyphenyl)ethanol
CID 117375122
O-[(3,6-dimethoxy-2-methylphenyl)methyl]hydroxylamine
CID 117286966
2-(2-hydroxyethyl)-3-(hydroxymethyl)-4-methoxybenzoic acid
CID 44578581
2-(2-ethyl-6-methoxyphenyl)ethanol
CID 143738643
2-butyl-1-methoxy-3,4-dimethylbenzene
CID 150631165
2-butyl-4-methoxy-3-methylaniline
CID 134964054
2-(2-bromo-6-methoxy-4-methylphenyl)ethanol
CID 11436497
3,6-dimethoxy-2-methylphenol
CID 13158257
3-(2-hydroxyethyl)-6,7-dimethoxy-4-methylchromen-2-one
CID 19428132

Frequently Asked Questions

What is the IUPAC name of 2-(3,6-dimethoxy-2-methylphenyl)ethanol?
The IUPAC name of 2-(3,6-dimethoxy-2-methylphenyl)ethanol (CID 117286361) is 2-(3,6-dimethoxy-2-methylphenyl)ethanol.
What is the SMILES notation for 2-(3,6-dimethoxy-2-methylphenyl)ethanol?
The canonical SMILES for 2-(3,6-dimethoxy-2-methylphenyl)ethanol is COc1ccc(OC)c(CCO)c1C.
What is the InChIKey of 2-(3,6-dimethoxy-2-methylphenyl)ethanol?
The InChIKey is CALMIMGPQGVSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-8-9(6-7-12)11(14-3)5-4-10(8)13-2/h4-5,12H,6-7H2,1-3H3.
What are the key properties of 2-(3,6-dimethoxy-2-methylphenyl)ethanol?
2-(3,6-dimethoxy-2-methylphenyl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 1.55, 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)ethanol is sourced from PubChem (CID 117286361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).