2-dibenzofuran-1-ylchromen-4-one

C21H12O3 — CID 168888509

IUPAC2-dibenzofuran-1-ylchromen-4-one
SMILESO=c1cc(-c2cccc3oc4ccccc4c23)oc2ccccc12
InChIInChI=1S/C21H12O3/c22-16-12-20(24-17-9-3-1-6-13(16)17)15-8-5-11-19-21(15)14-7-2-4-10-18(14)23-19/h1-12H
InChIKeyHMKOUOWLZCRECY-UHFFFAOYSA-N
MW312.32 g/mol
LogP5.36
Rot. Bonds1

About 2-dibenzofuran-1-ylchromen-4-one

2-dibenzofuran-1-ylchromen-4-one (PubChem CID 168888509) has the molecular formula C21H12O3 and a molecular weight of 312.32 g/mol. Its IUPAC name is 2-dibenzofuran-1-ylchromen-4-one.

Molecular Properties

Compound Name2-dibenzofuran-1-ylchromen-4-one
PubChem CID168888509
Molecular FormulaC21H12O3
Molecular Weight312.32 g/mol
Exact Mass312.08
IUPAC Name2-dibenzofuran-1-ylchromen-4-one
SMILESO=c1cc(-c2cccc3oc4ccccc4c23)oc2ccccc12
InChIInChI=1S/C21H12O3/c22-16-12-20(24-17-9-3-1-6-13(16)17)15-8-5-11-19-21(15)14-7-2-4-10-18(14)23-19/h1-12H
InChIKeyHMKOUOWLZCRECY-UHFFFAOYSA-N
XLogP5.36
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.32
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)chromen-4-one
CID 776385
2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
1-(3-dibenzofuran-1-ylphenyl)dibenzofuran
CID 170213719
1-[3-[3-[3-(3-dibenzofuran-1-ylphenyl)phenyl]phenyl]phenyl]dibenzofuran
CID 90265769
5-dibenzofuran-1-ylfuran-2-carbaldehyde
CID 169332087
2-(5-bromo-2-hydroxyphenyl)chromen-4-one
CID 146365267
5-bromo-1-methyl-3-(4-oxochromen-2-yl)pyridin-2-one
CID 177413534
CID 159796273
CID 159796273
2-(2-amino-5-methoxyphenyl)chromen-4-one
CID 155414539
2-dibenzofuran-1-ylaniline
CID 138698486
2-(3,4-dimethoxyphenyl)chromen-4-one
CID 158873505

Frequently Asked Questions

What is the IUPAC name of 2-dibenzofuran-1-ylchromen-4-one?
The IUPAC name of 2-dibenzofuran-1-ylchromen-4-one (CID 168888509) is 2-dibenzofuran-1-ylchromen-4-one.
What is the SMILES notation for 2-dibenzofuran-1-ylchromen-4-one?
The canonical SMILES for 2-dibenzofuran-1-ylchromen-4-one is O=c1cc(-c2cccc3oc4ccccc4c23)oc2ccccc12.
What is the InChIKey of 2-dibenzofuran-1-ylchromen-4-one?
The InChIKey is HMKOUOWLZCRECY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12O3/c22-16-12-20(24-17-9-3-1-6-13(16)17)15-8-5-11-19-21(15)14-7-2-4-10-18(14)23-19/h1-12H.
What are the key properties of 2-dibenzofuran-1-ylchromen-4-one?
2-dibenzofuran-1-ylchromen-4-one has a molecular weight of 312.32 g/mol, XLogP of 5.36, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dibenzofuran-1-ylchromen-4-one is sourced from PubChem (CID 168888509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).