3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one

C14H16N2O2 — CID 94265809

IUPAC3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
SMILESCCOc1cccc(CCC(=O)n2ccnc2)c1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-5-3-4-12(10-13)6-7-14(17)16-9-8-15-11-16/h3-5,8-11H,2,6-7H2,1H3
InChIKeyBAOIHHUWJGNGPW-UHFFFAOYSA-N
MW244.29 g/mol
LogP2.55
Rot. Bonds5

About 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one

3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one (PubChem CID 94265809) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one.

Molecular Properties

Compound Name3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
PubChem CID94265809
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one
SMILESCCOc1cccc(CCC(=O)n2ccnc2)c1
InChIInChI=1S/C14H16N2O2/c1-2-18-13-5-3-4-12(10-13)6-7-14(17)16-9-8-15-11-16/h3-5,8-11H,2,6-7H2,1H3
InChIKeyBAOIHHUWJGNGPW-UHFFFAOYSA-N
XLogP2.55
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylphenoxy)-1-imidazol-1-ylpropan-1-one
CID 94265821
3-(3-chlorophenyl)-1-imidazol-1-ylpropan-1-one
CID 82116505
1-imidazol-1-yl-2-(3-methylphenoxy)ethanone
CID 82113730
3-(3-ethoxyphenyl)-1-pyridin-2-ylpropan-1-one
CID 82185276
2-(3-ethylphenoxy)-1-imidazol-1-yl-2-methylpropan-1-one
CID 82120984
(3S)-4-[3-(3-ethoxyphenyl)propanoyl]-3-ethyl-1,4-diazepan-2-one
CID 136587028
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
1-[1-[3-(3-ethoxyphenyl)propanoyl]piperidin-4-yl]pyrazole-4-carboxylic acid
CID 138038164
(E)-but-2-enedioic acid;ethyl 2-[3-(imidazol-1-ylmethyl)phenoxy]acetate
CID 70478495
2-(3-ethoxyphenyl)acetyl chloride
CID 22994163
N-[(3-ethoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 17155517
ethyl 4-[3-(methoxymethoxy)phenyl]butanoate
CID 23074340

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one?
The IUPAC name of 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one (CID 94265809) is 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one.
What is the SMILES notation for 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one?
The canonical SMILES for 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one is CCOc1cccc(CCC(=O)n2ccnc2)c1.
What is the InChIKey of 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one?
The InChIKey is BAOIHHUWJGNGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-2-18-13-5-3-4-12(10-13)6-7-14(17)16-9-8-15-11-16/h3-5,8-11H,2,6-7H2,1H3.
What are the key properties of 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one?
3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one has a molecular weight of 244.29 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxyphenyl)-1-imidazol-1-ylpropan-1-one is sourced from PubChem (CID 94265809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).