1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone

C15H18N2O2 — CID 62406948

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

About 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone

1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone (PubChem CID 62406948) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone.

Molecular Properties

Compound Name1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone
PubChem CID62406948
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone
SMILESCCn1ccnc1COc1ccc(C)cc1C(C)=O
InChIInChI=1S/C15H18N2O2/c1-4-17-8-7-16-15(17)10-19-14-6-5-11(2)9-13(14)12(3)18/h5-9H,4,10H2,1-3H3
InChIKeyJDTMGLMTQGBVQK-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-[4-[(1-ethylimidazol-2-yl)methoxy]-3-methylphenyl]ethanone
CID 112689409
2-[(2-bromo-4-methylphenoxy)methyl]-1-ethylimidazole
CID 62736045
2-[(1-ethylimidazol-2-yl)methoxy]-5-methylbenzaldehyde
CID 63325007
N-ethyl-1-[2-[(1-ethylimidazol-2-yl)methoxy]-4-methylphenyl]ethanamine
CID 63640480
1-[2-[(2-chloro-4-methylphenyl)methoxy]-5-methylphenyl]ethanone
CID 106863595
1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanone
CID 43394142
3-chloro-4-[(1-ethylimidazol-2-yl)methoxy]benzaldehyde
CID 62406949
2-(1-ethylimidazol-2-yl)-1-(2-methoxy-5-methylphenyl)ethanol
CID 115819361
1-[4-[(1-ethylimidazol-2-yl)methoxy]phenyl]propan-1-one
CID 62406936
1-[5-methyl-2-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]ethanone
CID 63902310
1-[2-(2-hydroxy-2-methylbutoxy)-5-methylphenyl]ethanone
CID 114493917
(2-amino-5-methylphenyl)-(1-ethylimidazol-2-yl)methanone
CID 65453989

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone?
The IUPAC name of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone (CID 62406948) is 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone.
What is the SMILES notation for 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone?
The canonical SMILES for 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone is CCn1ccnc1COc1ccc(C)cc1C(C)=O.
What is the InChIKey of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone?
The InChIKey is JDTMGLMTQGBVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-4-17-8-7-16-15(17)10-19-14-6-5-11(2)9-13(14)12(3)18/h5-9H,4,10H2,1-3H3.
What are the key properties of 1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone?
1-[2-[(1-ethylimidazol-2-yl)methoxy]-5-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-[2-[(1-ethylimidazol-2-yl)methoxy]-5-methylphenyl]ethanone is sourced from PubChem (CID 62406948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).