4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride

C11H13ClN2O2 — CID 21153674

IUPAC4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(CC(O)n2ccnc2)cc1
InChIInChI=1S/C11H12N2O2.ClH/c14-10-3-1-9(2-4-10)7-11(15)13-6-5-12-8-13;/h1-6,8,11,14-15H,7H2;1H
InChIKeyQRPAYYRSEPGKQE-UHFFFAOYSA-N
MW240.69 g/mol
LogP1.74
Rot. Bonds3

About 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride

4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride (PubChem CID 21153674) has the molecular formula C11H13ClN2O2 and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride
PubChem CID21153674
Molecular FormulaC11H13ClN2O2
Molecular Weight240.69 g/mol
Exact Mass240.07
IUPAC Name4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride
SMILESCl.Oc1ccc(CC(O)n2ccnc2)cc1
InChIInChI=1S/C11H12N2O2.ClH/c14-10-3-1-9(2-4-10)7-11(15)13-6-5-12-8-13;/h1-6,8,11,14-15H,7H2;1H
InChIKeyQRPAYYRSEPGKQE-UHFFFAOYSA-N
XLogP1.74
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[2-(4-hydroxyphenyl)-1-imidazol-1-ylethyl]benzonitrile
CID 14231133
4-(4-chlorophenyl)-3-imidazol-1-ylbutan-2-one;hydrochloride
CID 67157646
1-[1-(4-methylphenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
CID 510049
(2R)-2-imidazol-1-yl-1,3-diphenylpropan-1-one
CID 124638329
1-[(1S)-1,2-bis(4-methoxyphenyl)ethyl]imidazole
CID 57402760
4-[(1-imidazol-1-ylpropan-2-ylamino)methyl]phenol
CID 43435560
1-[4-bromo-5-(4-ethenylphenyl)pentan-2-yl]imidazole
CID 174690768
(4-hydroxyphenyl)-[4-(imidazol-1-ylmethyl)phenyl]methanone
CID 171357643
1-[1-[4-(methoxymethyl)phenyl]butyl]imidazole
CID 14514379
1-[1-(4-chlorophenyl)-3-(4-chlorophenyl)sulfanylpropan-2-yl]imidazole
CID 171986373
4-[(4-imidazol-1-ylphenyl)methylamino]phenol
CID 43790371
1-imidazol-1-yl-1,3-diphenylpropan-2-amine
CID 16782420

Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride?
The IUPAC name of 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride (CID 21153674) is 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride.
What is the SMILES notation for 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride?
The canonical SMILES for 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride is Cl.Oc1ccc(CC(O)n2ccnc2)cc1.
What is the InChIKey of 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride?
The InChIKey is QRPAYYRSEPGKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2.ClH/c14-10-3-1-9(2-4-10)7-11(15)13-6-5-12-8-13;/h1-6,8,11,14-15H,7H2;1H.
What are the key properties of 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride?
4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride has a molecular weight of 240.69 g/mol, XLogP of 1.74, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-2-imidazol-1-ylethyl)phenol;hydrochloride is sourced from PubChem (CID 21153674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).