1-(3,5-dimethoxyphenyl)-2-methoxyethanol

C11H16O4 — CID 79567115

IUPAC1-(3,5-dimethoxyphenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O4/c1-13-7-11(12)8-4-9(14-2)6-10(5-8)15-3/h4-6,11-12H,7H2,1-3H3
InChIKeyKLIRACCSKSNUOE-UHFFFAOYSA-N
MW212.24 g/mol
LogP1.38
Rot. Bonds5

About 1-(3,5-dimethoxyphenyl)-2-methoxyethanol

1-(3,5-dimethoxyphenyl)-2-methoxyethanol (PubChem CID 79567115) has the molecular formula C11H16O4 and a molecular weight of 212.24 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenyl)-2-methoxyethanol.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenyl)-2-methoxyethanol
PubChem CID79567115
Molecular FormulaC11H16O4
Molecular Weight212.24 g/mol
Exact Mass212.10
IUPAC Name1-(3,5-dimethoxyphenyl)-2-methoxyethanol
SMILESCOCC(O)c1cc(OC)cc(OC)c1
InChIInChI=1S/C11H16O4/c1-13-7-11(12)8-4-9(14-2)6-10(5-8)15-3/h4-6,11-12H,7H2,1-3H3
InChIKeyKLIRACCSKSNUOE-UHFFFAOYSA-N
XLogP1.38
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethoxyphenyl)propan-1-ol
CID 42957590
2-methoxy-1-(3,4,5-trimethoxyphenyl)ethanol
CID 79566976
1-(3,5-difluorophenyl)-2-methoxyethanol
CID 62791322
2-amino-1-[3-methoxy-5-(methoxymethyl)phenyl]ethanol
CID 117301771
1-(3,5-dimethoxyphenyl)-3-methylidenepentan-1-ol
CID 115817579
1-(3,5-dimethoxyphenyl)-2-(propan-2-ylamino)ethanol;hydrochloride
CID 157085885
1-(3,5-dimethoxyphenyl)-4-methylpent-4-en-1-ol
CID 115834477
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171237724
(1R,3S)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol
CID 171236808
1-(3,5-dimethoxyphenyl)-2-thiophen-3-ylethanol
CID 55151381
6-(3,5-dimethoxyphenyl)-6-hydroxyhexane-2,4-dione
CID 10778147
(1R,3R)-3-amino-1-(3,5-dimethoxyphenyl)-4,4-dimethylpentan-1-ol;hydrochloride
CID 171237725

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenyl)-2-methoxyethanol?
The IUPAC name of 1-(3,5-dimethoxyphenyl)-2-methoxyethanol (CID 79567115) is 1-(3,5-dimethoxyphenyl)-2-methoxyethanol.
What is the SMILES notation for 1-(3,5-dimethoxyphenyl)-2-methoxyethanol?
The canonical SMILES for 1-(3,5-dimethoxyphenyl)-2-methoxyethanol is COCC(O)c1cc(OC)cc(OC)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenyl)-2-methoxyethanol?
The InChIKey is KLIRACCSKSNUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O4/c1-13-7-11(12)8-4-9(14-2)6-10(5-8)15-3/h4-6,11-12H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenyl)-2-methoxyethanol?
1-(3,5-dimethoxyphenyl)-2-methoxyethanol has a molecular weight of 212.24 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenyl)-2-methoxyethanol is sourced from PubChem (CID 79567115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).