8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one

C17H15FO3 — CID 58383247

IUPAC8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2Cc3ccc(C)c(F)c3OC2=O)cc1
InChIInChI=1S/C17H15FO3/c1-10-3-4-12-9-14(17(19)21-16(12)15(10)18)11-5-7-13(20-2)8-6-11/h3-8,14H,9H2,1-2H3
InChIKeyZOWWBDIJANXPIF-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.39
Rot. Bonds2

About 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one

8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one (PubChem CID 58383247) has the molecular formula C17H15FO3 and a molecular weight of 286.30 g/mol. Its IUPAC name is 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one.

Molecular Properties

Compound Name8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
PubChem CID58383247
Molecular FormulaC17H15FO3
Molecular Weight286.30 g/mol
Exact Mass286.10
IUPAC Name8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one
SMILESCOc1ccc(C2Cc3ccc(C)c(F)c3OC2=O)cc1
InChIInChI=1S/C17H15FO3/c1-10-3-4-12-9-14(17(19)21-16(12)15(10)18)11-5-7-13(20-2)8-6-11/h3-8,14H,9H2,1-2H3
InChIKeyZOWWBDIJANXPIF-UHFFFAOYSA-N
XLogP3.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The IUPAC name of 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one (CID 58383247) is 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one.
What is the SMILES notation for 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The canonical SMILES for 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one is COc1ccc(C2Cc3ccc(C)c(F)c3OC2=O)cc1.
What is the InChIKey of 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
The InChIKey is ZOWWBDIJANXPIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FO3/c1-10-3-4-12-9-14(17(19)21-16(12)15(10)18)11-5-7-13(20-2)8-6-11/h3-8,14H,9H2,1-2H3.
What are the key properties of 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one?
8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one has a molecular weight of 286.30 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-3-(4-methoxyphenyl)-7-methyl-3,4-dihydrochromen-2-one is sourced from PubChem (CID 58383247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).