1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol

C12H18O4 — CID 117325544

IUPAC1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(OC)c(C(C)O)c1OC
InChIInChI=1S/C12H18O4/c1-8(13)11-10(15-3)6-5-9(7-14-2)12(11)16-4/h5-6,8,13H,7H2,1-4H3
InChIKeyQEXJBSGWKJUKHH-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.90
Rot. Bonds5

About 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol

1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol (PubChem CID 117325544) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
PubChem CID117325544
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
SMILESCOCc1ccc(OC)c(C(C)O)c1OC
InChIInChI=1S/C12H18O4/c1-8(13)11-10(15-3)6-5-9(7-14-2)12(11)16-4/h5-6,8,13H,7H2,1-4H3
InChIKeyQEXJBSGWKJUKHH-UHFFFAOYSA-N
XLogP1.90
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-(methylamino)ethanol
CID 117391377
1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
CID 117325541
2-[2,6-dimethoxy-3-(methoxymethyl)phenyl]propan-2-ol
CID 117353557
3-[2,6-dimethoxy-3-(methoxymethyl)phenyl]-2-methylpropanoic acid
CID 117424467
1-methoxy-4-(methoxymethyl)naphthalene
CID 12777030
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689
1-(2,3-dimethoxy-6-methylphenyl)ethanol
CID 84666952
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
1-(3-ethyl-2-methoxy-6-propan-2-ylphenyl)ethanol
CID 117318734
2-(2,4-dimethoxy-3-propan-2-ylphenyl)ethanamine
CID 117320406
1-[3-methoxy-4-(methoxymethyl)phenyl]propan-2-ol
CID 117300594

Frequently Asked Questions

What is the IUPAC name of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol (CID 117325544) is 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol is COCc1ccc(OC)c(C(C)O)c1OC.
What is the InChIKey of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol?
The InChIKey is QEXJBSGWKJUKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-8(13)11-10(15-3)6-5-9(7-14-2)12(11)16-4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol?
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol has a molecular weight of 226.27 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117325544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).