7-fluoro-2-(4-methylphenyl)chromen-4-one

C16H11FO2 — CID 46231795

IUPAC7-fluoro-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C16H11FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9H,1H3
InChIKeyNGYCVQPULTXSDL-UHFFFAOYSA-N
MW254.26 g/mol
LogP3.91
Rot. Bonds1

About 7-fluoro-2-(4-methylphenyl)chromen-4-one

7-fluoro-2-(4-methylphenyl)chromen-4-one (PubChem CID 46231795) has the molecular formula C16H11FO2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 7-fluoro-2-(4-methylphenyl)chromen-4-one.

Molecular Properties

Compound Name7-fluoro-2-(4-methylphenyl)chromen-4-one
PubChem CID46231795
Molecular FormulaC16H11FO2
Molecular Weight254.26 g/mol
Exact Mass254.07
IUPAC Name7-fluoro-2-(4-methylphenyl)chromen-4-one
SMILESCc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1
InChIInChI=1S/C16H11FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9H,1H3
InChIKeyNGYCVQPULTXSDL-UHFFFAOYSA-N
XLogP3.91
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-(4-methylphenyl)chromen-4-one?
The IUPAC name of 7-fluoro-2-(4-methylphenyl)chromen-4-one (CID 46231795) is 7-fluoro-2-(4-methylphenyl)chromen-4-one.
What is the SMILES notation for 7-fluoro-2-(4-methylphenyl)chromen-4-one?
The canonical SMILES for 7-fluoro-2-(4-methylphenyl)chromen-4-one is Cc1ccc(-c2cc(=O)c3ccc(F)cc3o2)cc1.
What is the InChIKey of 7-fluoro-2-(4-methylphenyl)chromen-4-one?
The InChIKey is NGYCVQPULTXSDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO2/c1-10-2-4-11(5-3-10)15-9-14(18)13-7-6-12(17)8-16(13)19-15/h2-9H,1H3.
What are the key properties of 7-fluoro-2-(4-methylphenyl)chromen-4-one?
7-fluoro-2-(4-methylphenyl)chromen-4-one has a molecular weight of 254.26 g/mol, XLogP of 3.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-(4-methylphenyl)chromen-4-one is sourced from PubChem (CID 46231795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).