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

C12H18O4 — CID 117325541

IUPAC1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(OC)ccc(OC)c1C(C)O
InChIInChI=1S/C12H18O4/c1-8(13)12-9(7-14-2)10(15-3)5-6-11(12)16-4/h5-6,8,13H,7H2,1-4H3
InChIKeyWLZKAMFLBAYAGY-UHFFFAOYSA-N
MW226.27 g/mol
LogP1.90
Rot. Bonds5

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

1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol (PubChem CID 117325541) has the molecular formula C12H18O4 and a molecular weight of 226.27 g/mol. Its IUPAC name is 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
PubChem CID117325541
Molecular FormulaC12H18O4
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol
SMILESCOCc1c(OC)ccc(OC)c1C(C)O
InChIInChI=1S/C12H18O4/c1-8(13)12-9(7-14-2)10(15-3)5-6-11(12)16-4/h5-6,8,13H,7H2,1-4H3
InChIKeyWLZKAMFLBAYAGY-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

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Related Compounds

methyl 2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]-2-hydroxyacetate
CID 117428827
1-[2,6-dimethoxy-3-(methoxymethyl)phenyl]ethanol
CID 117325544
1-[2-fluoro-6-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117305499
1-(2-bromo-3,6-dimethoxyphenyl)ethanol
CID 117406483
4-amino-4-[3,6-dimethoxy-2-(methoxymethyl)phenyl]butanoic acid
CID 117455404
(3,6-dimethoxy-2-propan-2-ylphenyl)methanol
CID 84677821
1,3-dimethoxy-2-(methoxymethyl)benzene
CID 86183606
1-[4-(methoxymethyl)-2,3,5,6-tetramethylphenyl]ethanol
CID 605416
1-(2,3-difluoro-6-methoxyphenyl)ethanol
CID 58022414
2-amino-1-[2-fluoro-4-methoxy-3-(methoxymethyl)phenyl]ethanol
CID 117330317
2-[3,6-dimethoxy-2-(methoxymethyl)phenyl]acetic acid
CID 117353050
1-[4-bromo-2-methoxy-6-(methoxymethyl)phenyl]ethanol
CID 117439689

Frequently Asked Questions

What is the IUPAC name of 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The IUPAC name of 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol (CID 117325541) is 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol.
What is the SMILES notation for 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The canonical SMILES for 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol is COCc1c(OC)ccc(OC)c1C(C)O.
What is the InChIKey of 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
The InChIKey is WLZKAMFLBAYAGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O4/c1-8(13)12-9(7-14-2)10(15-3)5-6-11(12)16-4/h5-6,8,13H,7H2,1-4H3.
What are the key properties of 1-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol?
1-[3,6-dimethoxy-2-(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-[3,6-dimethoxy-2-(methoxymethyl)phenyl]ethanol is sourced from PubChem (CID 117325541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).