2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol

C12H14N2O2 — CID 61080490

IUPAC2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ncc[nH]2)c1
InChIInChI=1S/C12H14N2O2/c1-16-10-4-2-3-9(7-10)11(15)8-12-13-5-6-14-12/h2-7,11,15H,8H2,1H3,(H,13,14)
InChIKeyYRGGIVJUTHSTQM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.69
Rot. Bonds4

About 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol

2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol (PubChem CID 61080490) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
PubChem CID61080490
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol
SMILESCOc1cccc(C(O)Cc2ncc[nH]2)c1
InChIInChI=1S/C12H14N2O2/c1-16-10-4-2-3-9(7-10)11(15)8-12-13-5-6-14-12/h2-7,11,15H,8H2,1H3,(H,13,14)
InChIKeyYRGGIVJUTHSTQM-UHFFFAOYSA-N
XLogP1.69
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61080867
N-(1H-imidazol-2-ylmethyl)-1-(3-methoxyphenyl)ethanamine
CID 54976078
2-[2-bromo-3-(3-methoxyphenyl)propyl]-1H-imidazole
CID 61097381
1-(3,4-dimethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61083210
1-(3-methoxyphenyl)-2-(1,3-thiazol-2-yl)ethanol
CID 79823536
(4R)-4-hydroxy-4-(3-methoxyphenyl)butan-2-one
CID 101411477
1-(4-ethylphenyl)-2-(1H-imidazol-2-yl)ethanol
CID 61082232
2-(3-bromophenyl)-1-(3-methoxyphenyl)ethanol
CID 60797863
1-(3-methoxyphenyl)butan-1-ol
CID 2793894
1-(3-ethoxyphenyl)-2-(4-methoxyphenyl)ethanol
CID 79018522
N-ethyl-N-(1H-imidazol-2-ylmethyl)-3-methoxyaniline
CID 59708993
1-(3-methoxyphenyl)-3,3-dimethylbutan-1-ol
CID 63892362

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol (CID 61080490) is 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol is COc1cccc(C(O)Cc2ncc[nH]2)c1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol?
The InChIKey is YRGGIVJUTHSTQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c1-16-10-4-2-3-9(7-10)11(15)8-12-13-5-6-14-12/h2-7,11,15H,8H2,1H3,(H,13,14).
What are the key properties of 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol?
2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol has a molecular weight of 218.26 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(3-methoxyphenyl)ethanol is sourced from PubChem (CID 61080490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).