1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone

C15H18N2O2 — CID 112689409

IUPAC1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
SMILESCCn1ccnc1COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C15H18N2O2/c1-4-17-8-7-16-15(17)10-19-14-6-5-13(12(3)18)9-11(14)2/h5-9H,4,10H2,1-3H3
InChIKeyRRUUQEAIKAAPDX-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone

1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone (PubChem CID 112689409) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
PubChem CID112689409
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
SMILESCCn1ccnc1COc1ccc(C(C)=O)cc1C
InChIInChI=1S/C15H18N2O2/c1-4-17-8-7-16-15(17)10-19-14-6-5-13(12(3)18)9-11(14)2/h5-9H,4,10H2,1-3H3
InChIKeyRRUUQEAIKAAPDX-UHFFFAOYSA-N
XLogP2.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone
CID 62406948
1-[4-ethoxy-3-[(2-ethylimidazol-1-yl)methyl]phenyl]ethanone
CID 61404928
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007
4-(1-ethylimidazol-2-yl)oxy-3-methylbenzoic acid
CID 107672719
1-[4-ethoxy-3-[(2-methylimidazol-1-yl)methyl]phenyl]ethanone
CID 60724560
1-[4-[(2,5-dimethylphenyl)methoxy]-3-methylphenyl]ethanone
CID 82092576
4-[(4-acetyl-2-methylphenoxy)methyl]benzonitrile
CID 115610418
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
1-[3-chloro-4-[[1-(difluoromethyl)imidazol-2-yl]methoxy]phenyl]ethanone
CID 91636213
2-(4-acetyl-2-methylphenoxy)-N-ethyl-N-methylacetamide
CID 112689404

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone?
The IUPAC name of 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone (CID 112689409) is 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone?
The canonical SMILES for 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone is CCn1ccnc1COc1ccc(C(C)=O)cc1C.
What is the InChIKey of 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone?
The InChIKey is RRUUQEAIKAAPDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-8-7-16-15(17)10-19-14-6-5-13(12(3)18)9-11(14)2/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone?
1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone has a molecular weight of 258.32 g/mol, XLogP of 2.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone is sourced from PubChem (CID 112689409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).