1-(2,4-dimethoxy-5-methylphenyl)ethanol

C11H16O3 — CID 84666953

IUPAC1-(2,4-dimethoxy-5-methylphenyl)ethanol
SMILESCOc1cc(OC)c(C(C)O)cc1C
InChIInChI=1S/C11H16O3/c1-7-5-9(8(2)12)11(14-4)6-10(7)13-3/h5-6,8,12H,1-4H3
InChIKeyZMZNZBRPEMSVQA-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.07
Rot. Bonds3

About 1-(2,4-dimethoxy-5-methylphenyl)ethanol

1-(2,4-dimethoxy-5-methylphenyl)ethanol (PubChem CID 84666953) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(2,4-dimethoxy-5-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethoxy-5-methylphenyl)ethanol
PubChem CID84666953
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name1-(2,4-dimethoxy-5-methylphenyl)ethanol
SMILESCOc1cc(OC)c(C(C)O)cc1C
InChIInChI=1S/C11H16O3/c1-7-5-9(8(2)12)11(14-4)6-10(7)13-3/h5-6,8,12H,1-4H3
InChIKeyZMZNZBRPEMSVQA-UHFFFAOYSA-N
XLogP2.07
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanol
CID 93182220
(1R)-1-(2,4,5-trimethoxyphenyl)ethanol
CID 163198569
1-(2-fluoro-4-methoxy-5-methylphenyl)ethanol
CID 84659572
1-(5-chloro-2-methoxy-4-methylphenyl)ethanol
CID 82265131
1-(5-methoxy-4-methyl-2-methylsulfanylphenyl)ethanol
CID 84679217
(1R)-1-(4-methoxy-2,5-dimethylphenyl)ethanamine
CID 59272895
1-(4-methoxy-2,5-dimethylphenyl)-4-methylpentan-1-ol
CID 113370104
2-(2-hydroxy-4-methoxy-5-methylphenyl)propanoic acid
CID 117300178
1-(2,5-dimethoxy-4-methylphenyl)propan-1-ol
CID 10703654
1-(4,5-dimethoxy-2-propan-2-ylphenyl)ethanol
CID 117322382
2-(2,5-dimethoxy-4-methylphenyl)-2-hydroxyacetic acid
CID 23558595
2-amino-1-(2-methoxy-4,5-dimethylphenyl)-3-methylbutan-1-ol
CID 82291991

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)ethanol?
The IUPAC name of 1-(2,4-dimethoxy-5-methylphenyl)ethanol (CID 84666953) is 1-(2,4-dimethoxy-5-methylphenyl)ethanol.
What is the SMILES notation for 1-(2,4-dimethoxy-5-methylphenyl)ethanol?
The canonical SMILES for 1-(2,4-dimethoxy-5-methylphenyl)ethanol is COc1cc(OC)c(C(C)O)cc1C.
What is the InChIKey of 1-(2,4-dimethoxy-5-methylphenyl)ethanol?
The InChIKey is ZMZNZBRPEMSVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-7-5-9(8(2)12)11(14-4)6-10(7)13-3/h5-6,8,12H,1-4H3.
What are the key properties of 1-(2,4-dimethoxy-5-methylphenyl)ethanol?
1-(2,4-dimethoxy-5-methylphenyl)ethanol has a molecular weight of 196.25 g/mol, XLogP of 2.07, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxy-5-methylphenyl)ethanol is sourced from PubChem (CID 84666953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).