2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol

C14H18N2O2 — CID 107978204

IUPAC2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cn(C)cn1
InChIInChI=1S/C14H18N2O2/c1-10-4-5-14(18-3)11(6-10)7-13(17)12-8-16(2)9-15-12/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeySCNYOIWWWBDBSJ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.01
Rot. Bonds4

About 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol

2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol (PubChem CID 107978204) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
PubChem CID107978204
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol
SMILESCOc1ccc(C)cc1CC(O)c1cn(C)cn1
InChIInChI=1S/C14H18N2O2/c1-10-4-5-14(18-3)11(6-10)7-13(17)12-8-16(2)9-15-12/h4-6,8-9,13,17H,7H2,1-3H3
InChIKeySCNYOIWWWBDBSJ-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-5-methylphenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanol
CID 105083651
2-(3,5-dimethylphenyl)-1-(1-methylimidazol-4-yl)ethanol
CID 107978156
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-(3-ethylimidazol-4-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 66133516
1-(furan-3-yl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895146
2-(2-methoxy-5-methylphenyl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104822975
2-(5-bromo-2-methoxyphenyl)-1-(5-methyl-2-pyridinyl)ethanol
CID 81320149
1-(2-methoxy-5-methylphenyl)-4-methylpentan-2-ol
CID 62161527
4-methoxy-1-(2-methoxy-5-methylphenyl)butan-2-ol
CID 62161184
1-(2,6-difluorophenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 63895079
1-(2-methoxy-5-methylphenyl)decan-2-ol
CID 115781450
1-(3-fluoro-4-methoxyphenyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 65101453

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The IUPAC name of 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol (CID 107978204) is 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol is COc1ccc(C)cc1CC(O)c1cn(C)cn1.
What is the InChIKey of 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
The InChIKey is SCNYOIWWWBDBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-10-4-5-14(18-3)11(6-10)7-13(17)12-8-16(2)9-15-12/h4-6,8-9,13,17H,7H2,1-3H3.
What are the key properties of 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol?
2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol has a molecular weight of 246.31 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-5-methylphenyl)-1-(1-methylimidazol-4-yl)ethanol is sourced from PubChem (CID 107978204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).