7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one

C14H9FO4 — CID 164736963

IUPAC7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one
SMILESCOc1ccc2c(ccc3oc(=O)cc(O)c32)c1F
InChIInChI=1S/C14H9FO4/c1-18-11-5-2-7-8(14(11)15)3-4-10-13(7)9(16)6-12(17)19-10/h2-6,16H,1H3
InChIKeyMNJRBAVVMGHRGR-UHFFFAOYSA-N
MW260.22 g/mol
LogP2.80
Rot. Bonds1

About 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one

7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one (PubChem CID 164736963) has the molecular formula C14H9FO4 and a molecular weight of 260.22 g/mol. Its IUPAC name is 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one.

Molecular Properties

Compound Name7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one
PubChem CID164736963
Molecular FormulaC14H9FO4
Molecular Weight260.22 g/mol
Exact Mass260.05
IUPAC Name7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one
SMILESCOc1ccc2c(ccc3oc(=O)cc(O)c32)c1F
InChIInChI=1S/C14H9FO4/c1-18-11-5-2-7-8(14(11)15)3-4-10-13(7)9(16)6-12(17)19-10/h2-6,16H,1H3
InChIKeyMNJRBAVVMGHRGR-UHFFFAOYSA-N
XLogP2.80
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one?
The IUPAC name of 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one (CID 164736963) is 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one.
What is the SMILES notation for 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one?
The canonical SMILES for 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one is COc1ccc2c(ccc3oc(=O)cc(O)c32)c1F.
What is the InChIKey of 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one?
The InChIKey is MNJRBAVVMGHRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9FO4/c1-18-11-5-2-7-8(14(11)15)3-4-10-13(7)9(16)6-12(17)19-10/h2-6,16H,1H3.
What are the key properties of 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one?
7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one has a molecular weight of 260.22 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-1-hydroxy-8-methoxybenzo[f]chromen-3-one is sourced from PubChem (CID 164736963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).