4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one

C15H11FO3 — CID 167637191

IUPAC4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1C)c(=O)oc1c(F)c(O)ccc12
InChIInChI=1S/C15H11FO3/c1-7-3-4-9-10-5-6-11(17)13(16)14(10)19-15(18)12(9)8(7)2/h3-6,17H,1-2H3
InChIKeyOVXVTHKSHNMEDB-UHFFFAOYSA-N
MW258.25 g/mol
LogP3.41
Rot. Bonds

About 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one

4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one (PubChem CID 167637191) has the molecular formula C15H11FO3 and a molecular weight of 258.25 g/mol. Its IUPAC name is 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one.

Molecular Properties

Compound Name4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one
PubChem CID167637191
Molecular FormulaC15H11FO3
Molecular Weight258.25 g/mol
Exact Mass258.07
IUPAC Name4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one
SMILESCc1ccc2c(c1C)c(=O)oc1c(F)c(O)ccc12
InChIInChI=1S/C15H11FO3/c1-7-3-4-9-10-5-6-11(17)13(16)14(10)19-15(18)12(9)8(7)2/h3-6,17H,1-2H3
InChIKeyOVXVTHKSHNMEDB-UHFFFAOYSA-N
XLogP3.41
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one?
The IUPAC name of 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one (CID 167637191) is 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one.
What is the SMILES notation for 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one?
The canonical SMILES for 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one is Cc1ccc2c(c1C)c(=O)oc1c(F)c(O)ccc12.
What is the InChIKey of 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one?
The InChIKey is OVXVTHKSHNMEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11FO3/c1-7-3-4-9-10-5-6-11(17)13(16)14(10)19-15(18)12(9)8(7)2/h3-6,17H,1-2H3.
What are the key properties of 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one?
4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one has a molecular weight of 258.25 g/mol, XLogP of 3.41, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-hydroxy-7,8-dimethylbenzo[c]chromen-6-one is sourced from PubChem (CID 167637191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).