(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol

C13H16N2O2 — CID 40549247

IUPAC(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C13H16N2O2/c1-11-2-4-13(5-3-11)17-9-12(16)8-15-7-6-14-10-15/h2-7,10,12,16H,8-9H2,1H3/t12-/m1/s1
InChIKeyOZXVZBSBADBPMK-GFCCVEGCSA-N
MW232.28 g/mol
LogP1.63
Rot. Bonds5

About (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol

(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol (PubChem CID 40549247) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol.

Molecular Properties

Compound Name(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
PubChem CID40549247
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
SMILESCc1ccc(OC[C@H](O)Cn2ccnc2)cc1
InChIInChI=1S/C13H16N2O2/c1-11-2-4-13(5-3-11)17-9-12(16)8-15-7-6-14-10-15/h2-7,10,12,16H,8-9H2,1H3/t12-/m1/s1
InChIKeyOZXVZBSBADBPMK-GFCCVEGCSA-N
XLogP1.63
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
CID 47130684
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol;oxalic acid
CID 46735935
(2R)-1-(3,5-dimethoxyphenoxy)-3-imidazol-1-ylpropan-2-ol
CID 1090501
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
1-[(4-methylphenoxy)methyl]imidazole
CID 15555875
5-[4-(2-hydroxy-3-imidazol-1-ylpropoxy)phenyl]furan-2-carbaldehyde
CID 169333930
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-imidazol-1-yl-3-[3-(trifluoromethyl)phenoxy]propan-2-ol
CID 54162166

Frequently Asked Questions

What is the IUPAC name of (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol?
The IUPAC name of (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol (CID 40549247) is (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol.
What is the SMILES notation for (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol?
The canonical SMILES for (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol is Cc1ccc(OC[C@H](O)Cn2ccnc2)cc1.
What is the InChIKey of (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol?
The InChIKey is OZXVZBSBADBPMK-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-11-2-4-13(5-3-11)17-9-12(16)8-15-7-6-14-10-15/h2-7,10,12,16H,8-9H2,1H3/t12-/m1/s1.
What are the key properties of (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol?
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol has a molecular weight of 232.28 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol is sourced from PubChem (CID 40549247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).