1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol

C15H20N2O3 — CID 62349908

IUPAC1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2cnc(C)c2C)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-10-11(2)17(9-16-10)8-14(18)13-6-5-12(19-3)7-15(13)20-4/h5-7,9,14,18H,8H2,1-4H3
InChIKeyPGTUHFAJZRNXMQ-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.25
Rot. Bonds5

About 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol

1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol (PubChem CID 62349908) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol.

Molecular Properties

Compound Name1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol
PubChem CID62349908
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC Name1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol
SMILESCOc1ccc(C(O)Cn2cnc(C)c2C)c(OC)c1
InChIInChI=1S/C15H20N2O3/c1-10-11(2)17(9-16-10)8-14(18)13-6-5-12(19-3)7-15(13)20-4/h5-7,9,14,18H,8H2,1-4H3
InChIKeyPGTUHFAJZRNXMQ-UHFFFAOYSA-N
XLogP2.25
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(2,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 131874680
1-(3,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanamine
CID 62351977
2-(5,6-difluorobenzimidazol-1-yl)-1-(2,5-dimethoxyphenyl)ethanol
CID 110897794
3-(2,4-dimethoxyphenyl)-3-hydroxypropanenitrile
CID 5163746
1-(2,4-dimethoxyphenyl)-4-methylpentan-1-ol
CID 61088835
1-(2,4-dimethoxyphenyl)-3-methylbut-3-en-1-ol
CID 115816972
1-(2,4-dimethoxyphenyl)-2-(3,4-dimethylphenyl)ethanol
CID 62537327
1-(2,4-dimethoxyphenyl)-2-(2-methylimidazol-1-yl)ethanamine
CID 16781353
4-amino-1-(2,4-dimethoxyphenyl)butan-1-ol
CID 112507580
1-(2,4-dimethoxyphenyl)-2-propan-2-ylsulfanylethanol
CID 65131405
(1S)-1-(2,4-dimethoxyphenyl)ethanol
CID 25324308
amino-(2,4-dimethoxyphenyl)methanol
CID 116939607

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol?
The IUPAC name of 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol (CID 62349908) is 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol.
What is the SMILES notation for 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol?
The canonical SMILES for 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol is COc1ccc(C(O)Cn2cnc(C)c2C)c(OC)c1.
What is the InChIKey of 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol?
The InChIKey is PGTUHFAJZRNXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-10-11(2)17(9-16-10)8-14(18)13-6-5-12(19-3)7-15(13)20-4/h5-7,9,14,18H,8H2,1-4H3.
What are the key properties of 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol?
1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol has a molecular weight of 276.34 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethoxyphenyl)-2-(4,5-dimethylimidazol-1-yl)ethanol is sourced from PubChem (CID 62349908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).