6-fluoro-2-(4-phenylphenyl)chromen-4-one

C21H13FO2 — CID 46934857

IUPAC6-fluoro-2-(4-phenylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccccc3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C21H13FO2/c22-17-10-11-20-18(12-17)19(23)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyFIGQBGWFDYUUAN-UHFFFAOYSA-N
MW316.33 g/mol
LogP5.27
Rot. Bonds2

About 6-fluoro-2-(4-phenylphenyl)chromen-4-one

6-fluoro-2-(4-phenylphenyl)chromen-4-one (PubChem CID 46934857) has the molecular formula C21H13FO2 and a molecular weight of 316.33 g/mol. Its IUPAC name is 6-fluoro-2-(4-phenylphenyl)chromen-4-one.

Molecular Properties

Compound Name6-fluoro-2-(4-phenylphenyl)chromen-4-one
PubChem CID46934857
Molecular FormulaC21H13FO2
Molecular Weight316.33 g/mol
Exact Mass316.09
IUPAC Name6-fluoro-2-(4-phenylphenyl)chromen-4-one
SMILESO=c1cc(-c2ccc(-c3ccccc3)cc2)oc2ccc(F)cc12
InChIInChI=1S/C21H13FO2/c22-17-10-11-20-18(12-17)19(23)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H
InChIKeyFIGQBGWFDYUUAN-UHFFFAOYSA-N
XLogP5.27
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.33
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(4-phenylphenyl)chromen-4-one?
The IUPAC name of 6-fluoro-2-(4-phenylphenyl)chromen-4-one (CID 46934857) is 6-fluoro-2-(4-phenylphenyl)chromen-4-one.
What is the SMILES notation for 6-fluoro-2-(4-phenylphenyl)chromen-4-one?
The canonical SMILES for 6-fluoro-2-(4-phenylphenyl)chromen-4-one is O=c1cc(-c2ccc(-c3ccccc3)cc2)oc2ccc(F)cc12.
What is the InChIKey of 6-fluoro-2-(4-phenylphenyl)chromen-4-one?
The InChIKey is FIGQBGWFDYUUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13FO2/c22-17-10-11-20-18(12-17)19(23)13-21(24-20)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13H.
What are the key properties of 6-fluoro-2-(4-phenylphenyl)chromen-4-one?
6-fluoro-2-(4-phenylphenyl)chromen-4-one has a molecular weight of 316.33 g/mol, XLogP of 5.27, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(4-phenylphenyl)chromen-4-one is sourced from PubChem (CID 46934857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).