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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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).