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

C15H18N2O3 — CID 66152416

IUPAC1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
SMILESCCn1cncc1COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C15H18N2O3/c1-4-17-10-16-8-13(17)9-20-14-6-5-12(11(2)18)7-15(14)19-3/h5-8,10H,4,9H2,1-3H3
InChIKeyPLCCESXPJFCKGA-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.69
Rot. Bonds6

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

1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone (PubChem CID 66152416) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
PubChem CID66152416
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
SMILESCCn1cncc1COc1ccc(C(C)=O)cc1OC
InChIInChI=1S/C15H18N2O3/c1-4-17-10-16-8-13(17)9-20-14-6-5-12(11(2)18)7-15(14)19-3/h5-8,10H,4,9H2,1-3H3
InChIKeyPLCCESXPJFCKGA-UHFFFAOYSA-N
XLogP2.69
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxybenzoic acid
CID 66155090
3-ethoxy-4-[(3-ethylimidazol-4-yl)methoxy]benzoic acid
CID 66152798
1-[4-[(1-ethylpyrazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 62127437
1-[3-methoxy-4-(1,3-thiazol-5-ylmethoxy)phenyl]ethanone
CID 112640629
3-methoxy-4-[(3-propan-2-ylimidazol-4-yl)methoxy]benzoic acid
CID 66154401
[2-[(3-ethylimidazol-4-yl)methoxy]-5-fluorophenyl]methanamine
CID 107695029
1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone
CID 46483976
4-[(3-ethylimidazol-4-yl)methoxy]-3,5-difluorobenzoic acid
CID 79887466
1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
CID 99634944
1-(4-acetyl-2-methoxyphenoxy)butan-2-one
CID 62041056
4-[(3-ethylimidazol-4-yl)methoxy]-3-fluorobenzenesulfonamide
CID 82921640
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
CID 62029689

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone (CID 66152416) is 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone is CCn1cncc1COc1ccc(C(C)=O)cc1OC.
What is the InChIKey of 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
The InChIKey is PLCCESXPJFCKGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-4-17-10-16-8-13(17)9-20-14-6-5-12(11(2)18)7-15(14)19-3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone?
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone has a molecular weight of 274.32 g/mol, XLogP of 2.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 66152416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).