1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one

C15H18N2O2 — CID 113323069

IUPAC1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
SMILESCCn1cncc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-17-11-16-9-14(17)10-19-15-6-4-13(5-7-15)8-12(2)18/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyBWVCRZYVORNGJM-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.61
Rot. Bonds6

About 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one

1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one (PubChem CID 113323069) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one.

Molecular Properties

Compound Name1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
PubChem CID113323069
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one
SMILESCCn1cncc1COc1ccc(CC(C)=O)cc1
InChIInChI=1S/C15H18N2O2/c1-3-17-11-16-9-14(17)10-19-15-6-4-13(5-7-15)8-12(2)18/h4-7,9,11H,3,8,10H2,1-2H3
InChIKeyBWVCRZYVORNGJM-UHFFFAOYSA-N
XLogP2.61
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-ethylphenoxy)ethyl]-1H-imidazole
CID 867238
1-Imidazol-1-yl-3-(4-octylphenoxy)propan-2-one
CID 46230393
1-[3-(4-methylphenoxy)propyl]-1H-imidazole
CID 2841348
2-(4-ethoxyphenyl)-N-[2-(1H-imidazol-5-yl)ethyl]acetamide
CID 17582891
4-[2-(4-Acetylphenoxy)ethyl]-1H-imidazole
CID 10680963
1-{4-[2-(1H-Imidazol-4-yl)-ethoxy]-phenyl}-propan-1-one
CID 10728982
[4-(2-Imidazol-1-yl-ethoxy)-phenyl]-acetic acid
CID 13569193
4-[(1-methyl-1H-imidazol-2-yl)methoxy]benzaldehyde
CID 820979
(2-ethyl-1-methyl-1H-imidazol-5-yl)(4-methoxyphenyl)methanone
CID 791823
(4-Methoxyphenyl)-(3-methyl-2-propyl-4-imidazolyl)methanone
CID 791826
Cyclopropyl-[4-(1H-imidazol-4-ylmethoxy)-phenyl]-methanone
CID 44316182
(1R)-7-ethoxy-1,3-dimethyl-5-(1-methylimidazol-4-yl)-1H-3-benzazepin-2-one
CID 168299776

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one?
The IUPAC name of 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one (CID 113323069) is 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one.
What is the SMILES notation for 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one?
The canonical SMILES for 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one is CCn1cncc1COc1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one?
The InChIKey is BWVCRZYVORNGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-3-17-11-16-9-14(17)10-19-15-6-4-13(5-7-15)8-12(2)18/h4-7,9,11H,3,8,10H2,1-2H3.
What are the key properties of 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one?
1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one has a molecular weight of 258.32 g/mol, XLogP of 2.61, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethylimidazol-4-yl)methoxy]phenyl]propan-2-one is sourced from PubChem (CID 113323069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).