3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one

C19H13FO4 — CID 707758

IUPAC3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1F
InChIInChI=1S/C19H13FO4/c1-10-5-19(21)24-18-8-17-13(7-12(10)18)14(9-23-17)11-3-4-16(22-2)15(20)6-11/h3-9H,1-2H3
InChIKeyPCCFCGUEHHGMPA-UHFFFAOYSA-N
MW324.31 g/mol
LogP4.66
Rot. Bonds2

About 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one

3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one (PubChem CID 707758) has the molecular formula C19H13FO4 and a molecular weight of 324.31 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
PubChem CID707758
Molecular FormulaC19H13FO4
Molecular Weight324.31 g/mol
Exact Mass324.08
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one
SMILESCOc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1F
InChIInChI=1S/C19H13FO4/c1-10-5-19(21)24-18-8-17-13(7-12(10)18)14(9-23-17)11-3-4-16(22-2)15(20)6-11/h3-9H,1-2H3
InChIKeyPCCFCGUEHHGMPA-UHFFFAOYSA-N
XLogP4.66
TPSA52.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.31
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one (CID 707758) is 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one is COc1ccc(-c2coc3cc4oc(=O)cc(C)c4cc23)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
The InChIKey is PCCFCGUEHHGMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FO4/c1-10-5-19(21)24-18-8-17-13(7-12(10)18)14(9-23-17)11-3-4-16(22-2)15(20)6-11/h3-9H,1-2H3.
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one?
3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one has a molecular weight of 324.31 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-5-methylfuro[3,2-g]chromen-7-one is sourced from PubChem (CID 707758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).