methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate

C14H16N2O4 — CID 47130684

IUPACmethyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCC(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H16N2O4/c1-19-14(18)11-2-4-13(5-3-11)20-9-12(17)8-16-7-6-15-10-16/h2-7,10,12,17H,8-9H2,1H3
InChIKeyZDGBEDVMUZVONP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.11
Rot. Bonds6

About methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate

methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate (PubChem CID 47130684) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
PubChem CID47130684
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate
SMILESCOC(=O)c1ccc(OCC(O)Cn2ccnc2)cc1
InChIInChI=1S/C14H16N2O4/c1-19-14(18)11-2-4-13(5-3-11)20-9-12(17)8-16-7-6-15-10-16/h2-7,10,12,17H,8-9H2,1H3
InChIKeyZDGBEDVMUZVONP-UHFFFAOYSA-N
XLogP1.11
TPSA73.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate 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

N-[4-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]phenyl]acetamide
CID 1095842
(2R)-1-imidazol-1-yl-3-(4-methylphenoxy)propan-2-ol
CID 40549247
(2R)-1-(4-aminophenoxy)-3-imidazol-1-ylpropan-2-ol
CID 7449350
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
3-[(2S)-2-hydroxy-3-imidazol-1-ylpropoxy]benzoic acid
CID 35140762
1-imidazol-1-yl-3-(4-pyrrolidin-1-ylphenoxy)propan-2-ol
CID 168513831
(2R)-1-imidazol-1-yl-3-pyridin-3-yloxypropan-2-ol
CID 58930396
methyl 4-[(2R)-2-hydroxy-3-(4-pyrimidin-2-ylpiperazin-1-yl)propoxy]benzoate
CID 52532865
methyl 4-[(2S)-2-hydroxy-3-morpholin-4-ylpropoxy]benzoate
CID 754353
1-[4-(furan-2-yl)phenoxy]-3-imidazol-1-ylpropan-2-ol
CID 168526584
methyl 4-[4-(2,3-dihydroxypropoxy)phenyl]benzoate
CID 89447868

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate?
The IUPAC name of methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate (CID 47130684) is methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate.
What is the SMILES notation for methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate?
The canonical SMILES for methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate is COC(=O)c1ccc(OCC(O)Cn2ccnc2)cc1.
What is the InChIKey of methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate?
The InChIKey is ZDGBEDVMUZVONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-19-14(18)11-2-4-13(5-3-11)20-9-12(17)8-16-7-6-15-10-16/h2-7,10,12,17H,8-9H2,1H3.
What are the key properties of methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate?
methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate has a molecular weight of 276.29 g/mol, XLogP of 1.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-hydroxy-3-imidazol-1-ylpropoxy)benzoate is sourced from PubChem (CID 47130684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).