9a-phenyl-2H-furo[2,3-b]chromen-4-one

C17H12O3 — CID 91465607

IUPAC9a-phenyl-2H-furo[2,3-b]chromen-4-one
SMILESO=C1C2=CCOC2(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H12O3/c18-16-13-8-4-5-9-15(13)20-17(14(16)10-11-19-17)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyXCBBJXZGVCDXFS-UHFFFAOYSA-N
MW264.28 g/mol
LogP3.07
Rot. Bonds1

About 9a-phenyl-2H-furo[2,3-b]chromen-4-one

9a-phenyl-2H-furo[2,3-b]chromen-4-one (PubChem CID 91465607) has the molecular formula C17H12O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is 9a-phenyl-2H-furo[2,3-b]chromen-4-one.

Molecular Properties

Compound Name9a-phenyl-2H-furo[2,3-b]chromen-4-one
PubChem CID91465607
Molecular FormulaC17H12O3
Molecular Weight264.28 g/mol
Exact Mass264.08
IUPAC Name9a-phenyl-2H-furo[2,3-b]chromen-4-one
SMILESO=C1C2=CCOC2(c2ccccc2)Oc2ccccc21
InChIInChI=1S/C17H12O3/c18-16-13-8-4-5-9-15(13)20-17(14(16)10-11-19-17)12-6-2-1-3-7-12/h1-10H,11H2
InChIKeyXCBBJXZGVCDXFS-UHFFFAOYSA-N
XLogP3.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 139129040
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CID 73441321
3-[di(propan-2-yl)amino]-3-phenyl-2-benzofuran-1-one
CID 13221616
1a-phenyloxireno[2,3-b]chromene
CID 20536923
(12aR)-12a-methoxybenzo[c]xanthene-5,7-dione
CID 139091694
3-bromo-4-oxo-2,3-diphenylchromen-2-olate
CID 134840633
4,4,5,5-tetraphenyl-1,3-dioxolan-2-one
CID 86177862
6,6-diphenyloxan-2-one
CID 14144368
2-phenyl-2-thiophen-2-yl-3H-chromen-4-one
CID 12753192
2,2-ditert-butyl-3-methyl-1,3-benzoxazin-4-one
CID 58564303
spiro[1,3-benzodioxine-2,1'-cyclopentane]-4-one
CID 155387781
5'-methyl-2'-propan-2-ylspiro[3H-1,3-benzoxazine-2,1'-cyclohexane]-4-one
CID 604722

Frequently Asked Questions

What is the IUPAC name of 9a-phenyl-2H-furo[2,3-b]chromen-4-one?
The IUPAC name of 9a-phenyl-2H-furo[2,3-b]chromen-4-one (CID 91465607) is 9a-phenyl-2H-furo[2,3-b]chromen-4-one.
What is the SMILES notation for 9a-phenyl-2H-furo[2,3-b]chromen-4-one?
The canonical SMILES for 9a-phenyl-2H-furo[2,3-b]chromen-4-one is O=C1C2=CCOC2(c2ccccc2)Oc2ccccc21.
What is the InChIKey of 9a-phenyl-2H-furo[2,3-b]chromen-4-one?
The InChIKey is XCBBJXZGVCDXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O3/c18-16-13-8-4-5-9-15(13)20-17(14(16)10-11-19-17)12-6-2-1-3-7-12/h1-10H,11H2.
What are the key properties of 9a-phenyl-2H-furo[2,3-b]chromen-4-one?
9a-phenyl-2H-furo[2,3-b]chromen-4-one has a molecular weight of 264.28 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9a-phenyl-2H-furo[2,3-b]chromen-4-one is sourced from PubChem (CID 91465607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).