2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride

C12H15ClN2O2 — CID 3059766

IUPAC2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14;/h2-7,9,12,15H,8H2,1H3;1H
InChIKeyOZJZPBCDYUMIGO-UHFFFAOYSA-N
MW254.72 g/mol
LogP2.05
Rot. Bonds4

About 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride

2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride (PubChem CID 3059766) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride
PubChem CID3059766
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride
SMILESCOc1ccc(C(O)Cn2ccnc2)cc1.Cl
InChIInChI=1S/C12H14N2O2.ClH/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14;/h2-7,9,12,15H,8H2,1H3;1H
InChIKeyOZJZPBCDYUMIGO-UHFFFAOYSA-N
XLogP2.05
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

CID 104955
CID 104955
CID 3021561
CID 3021561
CID 3069781
CID 3069781
CID 104956
CID 104956
CID 2870390
CID 2870390
CID 867238
CID 867238
CID 868346
CID 868346
CID 2852313
CID 2852313
CID 32239
CID 32239
CID 2841348
CID 2841348
CID 2728483
CID 2728483
CID 53606
CID 53606

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride (CID 3059766) is 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride is COc1ccc(C(O)Cn2ccnc2)cc1.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride?
The InChIKey is OZJZPBCDYUMIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2.ClH/c1-16-11-4-2-10(3-5-11)12(15)8-14-7-6-13-9-14;/h2-7,9,12,15H,8H2,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride?
2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride has a molecular weight of 254.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(4-methoxyphenyl)ethanol;hydrochloride is sourced from PubChem (CID 3059766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).