8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one

C15H10BrFO2 — CID 141230193

IUPAC8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one
SMILESCCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C15H10BrFO2/c1-2-8-3-5-11-10-6-4-9(16)7-12(10)15(18)19-14(11)13(8)17/h3-7H,2H2,1H3
InChIKeyJJRJPWRDTTVXJM-UHFFFAOYSA-N
MW321.15 g/mol
LogP4.41
Rot. Bonds1

About 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one

8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one (PubChem CID 141230193) has the molecular formula C15H10BrFO2 and a molecular weight of 321.15 g/mol. Its IUPAC name is 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one.

Molecular Properties

Compound Name8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one
PubChem CID141230193
Molecular FormulaC15H10BrFO2
Molecular Weight321.15 g/mol
Exact Mass319.98
IUPAC Name8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one
SMILESCCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F
InChIInChI=1S/C15H10BrFO2/c1-2-8-3-5-11-10-6-4-9(16)7-12(10)15(18)19-14(11)13(8)17/h3-7H,2H2,1H3
InChIKeyJJRJPWRDTTVXJM-UHFFFAOYSA-N
XLogP4.41
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.15
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one?
The IUPAC name of 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one (CID 141230193) is 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one.
What is the SMILES notation for 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one?
The canonical SMILES for 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one is CCc1ccc2c(oc(=O)c3cc(Br)ccc32)c1F.
What is the InChIKey of 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one?
The InChIKey is JJRJPWRDTTVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFO2/c1-2-8-3-5-11-10-6-4-9(16)7-12(10)15(18)19-14(11)13(8)17/h3-7H,2H2,1H3.
What are the key properties of 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one?
8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one has a molecular weight of 321.15 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-ethyl-4-fluorobenzo[c]chromen-6-one is sourced from PubChem (CID 141230193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).