8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one

C16H9FO3 — CID 118531178

IUPAC8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1c3cc(F)ccc3oc21
InChIInChI=1S/C16H9FO3/c1-8-2-4-10-13(6-8)20-16(18)14-11-7-9(17)3-5-12(11)19-15(10)14/h2-7H,1H3
InChIKeyYYXOWNKDZADYNP-UHFFFAOYSA-N
MW268.24 g/mol
LogP4.14
Rot. Bonds

About 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one

8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 118531178) has the molecular formula C16H9FO3 and a molecular weight of 268.24 g/mol. Its IUPAC name is 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID118531178
Molecular FormulaC16H9FO3
Molecular Weight268.24 g/mol
Exact Mass268.05
IUPAC Name8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one
SMILESCc1ccc2c(c1)oc(=O)c1c3cc(F)ccc3oc21
InChIInChI=1S/C16H9FO3/c1-8-2-4-10-13(6-8)20-16(18)14-11-7-9(17)3-5-12(11)19-15(10)14/h2-7H,1H3
InChIKeyYYXOWNKDZADYNP-UHFFFAOYSA-N
XLogP4.14
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

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CID 5281707
Psoralidin
CID 5281806
Isosojagol
CID 16744613
Phaseol
CID 44257530
Coumestrol dimethyl ether
CID 2785731
3-Hydroxy-9-methoxy-6H-benzofuro(3,2-c)(1)benzopyran-6-one
CID 5319565
Aureol
CID 5491648
Neo-tanshinlactone
CID 10264769
Ethyl 5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate
CID 624750
Trifoliol
CID 5487671
Wairol
CID 5488650
Repensol
CID 44257533

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one (CID 118531178) is 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one is Cc1ccc2c(c1)oc(=O)c1c3cc(F)ccc3oc21.
What is the InChIKey of 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is YYXOWNKDZADYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9FO3/c1-8-2-4-10-13(6-8)20-16(18)14-11-7-9(17)3-5-12(11)19-15(10)14/h2-7H,1H3.
What are the key properties of 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one?
8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 268.24 g/mol, XLogP of 4.14, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-methyl-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 118531178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).