9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

C19H16FNO3 — CID 943268

IUPAC9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1)CO3
InChIInChI=1S/C19H16FNO3/c1-11-12(2)19(22)24-18-15(11)7-8-17-16(18)9-21(10-23-17)14-5-3-13(20)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeyJMZCALKGCSMGKR-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.91
Rot. Bonds1

About 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one

9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (PubChem CID 943268) has the molecular formula C19H16FNO3 and a molecular weight of 325.34 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
PubChem CID943268
Molecular FormulaC19H16FNO3
Molecular Weight325.34 g/mol
Exact Mass325.11
IUPAC Name9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one
SMILESCc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1)CO3
InChIInChI=1S/C19H16FNO3/c1-11-12(2)19(22)24-18-15(11)7-8-17-16(18)9-21(10-23-17)14-5-3-13(20)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeyJMZCALKGCSMGKR-UHFFFAOYSA-N
XLogP3.91
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.91
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 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The IUPAC name of 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one (CID 943268) is 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one.
What is the SMILES notation for 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The canonical SMILES for 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccc(F)cc1)CO3.
What is the InChIKey of 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
The InChIKey is JMZCALKGCSMGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO3/c1-11-12(2)19(22)24-18-15(11)7-8-17-16(18)9-21(10-23-17)14-5-3-13(20)4-6-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one?
9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one has a molecular weight of 325.34 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-3,4-dimethyl-8,10-dihydropyrano[2,3-f][1,3]benzoxazin-2-one is sourced from PubChem (CID 943268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).