3-(3-imidazol-1-ylpropoxy)phenol

C12H14N2O2 — CID 61492833

IUPAC3-(3-imidazol-1-ylpropoxy)phenol
SMILESOc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C12H14N2O2/c15-11-3-1-4-12(9-11)16-8-2-6-14-7-5-13-10-14/h1,3-5,7,9-10,15H,2,6,8H2
InChIKeyDLHLQGBJOVMBSI-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.06
Rot. Bonds5

About 3-(3-imidazol-1-ylpropoxy)phenol

3-(3-imidazol-1-ylpropoxy)phenol (PubChem CID 61492833) has the molecular formula C12H14N2O2 and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropoxy)phenol.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropoxy)phenol
PubChem CID61492833
Molecular FormulaC12H14N2O2
Molecular Weight218.26 g/mol
Exact Mass218.11
IUPAC Name3-(3-imidazol-1-ylpropoxy)phenol
SMILESOc1cccc(OCCCn2ccnc2)c1
InChIInChI=1S/C12H14N2O2/c15-11-3-1-4-12(9-11)16-8-2-6-14-7-5-13-10-14/h1,3-5,7,9-10,15H,2,6,8H2
InChIKeyDLHLQGBJOVMBSI-UHFFFAOYSA-N
XLogP2.06
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-[3-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 63365749
1-[4-(3-tert-butylphenoxy)butyl]imidazole
CID 2996393
1-[4-(3-methylphenoxy)butyl]imidazole
CID 2841395
N-[[3-(3-imidazol-1-ylpropoxy)phenyl]methyl]ethanamine
CID 61494562
1-[6-(3-methoxyphenoxy)hexyl]imidazole
CID 3758429
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245
ethyl 3-(3-imidazol-1-ylpropoxy)benzoate
CID 139771562
6-[3-(5-imidazol-1-ylpentoxy)phenoxy]-2,2-dimethylhexanoic acid
CID 14327319
2-[3-(2-imidazol-1-ylethoxy)phenyl]guanidine
CID 19811578
2-[4-(3-imidazol-1-ylpropoxy)phenyl]ethanol
CID 104601036
5-[[3-(3-imidazol-1-ylpropoxy)phenyl]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione
CID 168599926
1-[3-[4-[(E)-2-phenylethenyl]phenoxy]propyl]imidazole
CID 67859856

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropoxy)phenol?
The IUPAC name of 3-(3-imidazol-1-ylpropoxy)phenol (CID 61492833) is 3-(3-imidazol-1-ylpropoxy)phenol.
What is the SMILES notation for 3-(3-imidazol-1-ylpropoxy)phenol?
The canonical SMILES for 3-(3-imidazol-1-ylpropoxy)phenol is Oc1cccc(OCCCn2ccnc2)c1.
What is the InChIKey of 3-(3-imidazol-1-ylpropoxy)phenol?
The InChIKey is DLHLQGBJOVMBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2/c15-11-3-1-4-12(9-11)16-8-2-6-14-7-5-13-10-14/h1,3-5,7,9-10,15H,2,6,8H2.
What are the key properties of 3-(3-imidazol-1-ylpropoxy)phenol?
3-(3-imidazol-1-ylpropoxy)phenol has a molecular weight of 218.26 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropoxy)phenol is sourced from PubChem (CID 61492833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).