[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol

C14H16N2O4 — CID 67912834

IUPAC[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol
SMILESOCC1OCC(COc2ccccc2-n2ccnc2)O1
InChIInChI=1S/C14H16N2O4/c17-7-14-19-9-11(20-14)8-18-13-4-2-1-3-12(13)16-6-5-15-10-16/h1-6,10-11,14,17H,7-9H2
InChIKeyISKSMXHEEVHQRR-UHFFFAOYSA-N
MW276.29 g/mol
LogP0.98
Rot. Bonds5

About [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol

[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol (PubChem CID 67912834) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol.

Molecular Properties

Compound Name[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol
PubChem CID67912834
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol
SMILESOCC1OCC(COc2ccccc2-n2ccnc2)O1
InChIInChI=1S/C14H16N2O4/c17-7-14-19-9-11(20-14)8-18-13-4-2-1-3-12(13)16-6-5-15-10-16/h1-6,10-11,14,17H,7-9H2
InChIKeyISKSMXHEEVHQRR-UHFFFAOYSA-N
XLogP0.98
TPSA65.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol 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

1-(2-prop-2-ynoxyphenyl)imidazole
CID 12509101
1-[2-[[2-(3-chlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenyl]imidazole
CID 23335436
1,3,5-tris[2-(oxiran-2-ylmethoxy)phenyl]-1,3,5-triazinane-2,4,6-trione
CID 15745049
2-(2-imidazol-1-ylphenoxy)-N-(2-methylphenyl)acetamide
CID 166221787
1-[2-[3-[3-(2-imidazol-1-ylphenoxy)propylsulfonyl]propoxy]phenyl]imidazole
CID 139818053
2-[(2-methylphenoxy)methyl]oxirane;oxiran-2-ylmethanol
CID 174918196
N-(2-imidazol-1-ylphenyl)-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 94072580
1-[2,3-di(imidazol-1-yl)phenyl]imidazole
CID 141435532
(4-fluorophenyl)-[1-[3-(2-imidazol-1-ylphenoxy)propyl]piperidin-4-yl]methanone
CID 67699856
[5-(2-imidazol-1-ylphenyl)-1H-imidazol-2-yl]methanol
CID 174612893
(2S,5R)-5-(aminomethyl)-N-(2-imidazol-1-ylphenyl)oxolane-2-carboxamide;dihydrochloride
CID 120797789
(2R)-2-[(2-iodophenoxy)methyl]oxirane
CID 57462593

Frequently Asked Questions

What is the IUPAC name of [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol?
The IUPAC name of [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol (CID 67912834) is [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol.
What is the SMILES notation for [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol?
The canonical SMILES for [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol is OCC1OCC(COc2ccccc2-n2ccnc2)O1.
What is the InChIKey of [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol?
The InChIKey is ISKSMXHEEVHQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c17-7-14-19-9-11(20-14)8-18-13-4-2-1-3-12(13)16-6-5-15-10-16/h1-6,10-11,14,17H,7-9H2.
What are the key properties of [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol?
[4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol has a molecular weight of 276.29 g/mol, XLogP of 0.98, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(2-imidazol-1-ylphenoxy)methyl]-1,3-dioxolan-2-yl]methanol is sourced from PubChem (CID 67912834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).