2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone

C17H16N2O4 — CID 143884942

IUPAC2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(COc1ccccc1C1=CNCN1)c1ccc(O)cc1O
InChIInChI=1S/C17H16N2O4/c20-11-5-6-13(15(21)7-11)16(22)9-23-17-4-2-1-3-12(17)14-8-18-10-19-14/h1-8,18-21H,9-10H2
InChIKeyQHRZEPMEHPJFHX-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.81
Rot. Bonds5

About 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone

2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone (PubChem CID 143884942) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone
PubChem CID143884942
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC Name2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone
SMILESO=C(COc1ccccc1C1=CNCN1)c1ccc(O)cc1O
InChIInChI=1S/C17H16N2O4/c20-11-5-6-13(15(21)7-11)16(22)9-23-17-4-2-1-3-12(17)14-8-18-10-19-14/h1-8,18-21H,9-10H2
InChIKeyQHRZEPMEHPJFHX-UHFFFAOYSA-N
XLogP1.81
TPSA90.82 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 4746417
1-(2,4-dihydroxyphenyl)-2-(2-propan-2-ylphenoxy)ethanone
CID 724519
1-(2,4-dihydroxyphenyl)-2-(2,5-dimethylphenoxy)ethanone
CID 16641365
1-(2,4-dihydroxyphenyl)-2-(4-ethoxyphenoxy)ethanone
CID 678669
4-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzonitrile
CID 38900024
1-(2,4-dihydroxyphenyl)-2-hydroxyethanone
CID 11715230
1-(2-hydroxy-4-methoxyphenyl)-2-phenoxyethanone
CID 12541853
ethane;methyl 3-[2-(2,4-dihydroxyphenyl)-2-oxoethoxy]benzoate
CID 144606949
1-(2-chlorophenyl)-3-(2,4-dihydroxyphenyl)propane-1,3-dione
CID 52916523
2-[2-(5-ethyl-2,4-dihydroxyphenyl)-2-oxoethoxy]benzoic acid
CID 118401850
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] cyclopentanecarboxylate
CID 27912053
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone?
The IUPAC name of 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone (CID 143884942) is 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone.
What is the SMILES notation for 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone?
The canonical SMILES for 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone is O=C(COc1ccccc1C1=CNCN1)c1ccc(O)cc1O.
What is the InChIKey of 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone?
The InChIKey is QHRZEPMEHPJFHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c20-11-5-6-13(15(21)7-11)16(22)9-23-17-4-2-1-3-12(17)14-8-18-10-19-14/h1-8,18-21H,9-10H2.
What are the key properties of 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone?
2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone has a molecular weight of 312.33 g/mol, XLogP of 1.81, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dihydro-1H-imidazol-4-yl)phenoxy]-1-(2,4-dihydroxyphenyl)ethanone is sourced from PubChem (CID 143884942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).