3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one

C16H11FO3 — CID 71483517

IUPAC3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
SMILESCc1cc(F)ccc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C16H11FO3/c1-9-6-10(17)2-4-12(9)14-8-20-15-7-11(18)3-5-13(15)16(14)19/h2-8,18H,1H3
InChIKeyACQPFHKRQLTHQR-UHFFFAOYSA-N
MW270.26 g/mol
LogP3.61
Rot. Bonds1

About 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one

3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one (PubChem CID 71483517) has the molecular formula C16H11FO3 and a molecular weight of 270.26 g/mol. Its IUPAC name is 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
PubChem CID71483517
Molecular FormulaC16H11FO3
Molecular Weight270.26 g/mol
Exact Mass270.07
IUPAC Name3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one
SMILESCc1cc(F)ccc1-c1coc2cc(O)ccc2c1=O
InChIInChI=1S/C16H11FO3/c1-9-6-10(17)2-4-12(9)14-8-20-15-7-11(18)3-5-13(15)16(14)19/h2-8,18H,1H3
InChIKeyACQPFHKRQLTHQR-UHFFFAOYSA-N
XLogP3.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.26
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one?
The IUPAC name of 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one (CID 71483517) is 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one is Cc1cc(F)ccc1-c1coc2cc(O)ccc2c1=O.
What is the InChIKey of 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one?
The InChIKey is ACQPFHKRQLTHQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO3/c1-9-6-10(17)2-4-12(9)14-8-20-15-7-11(18)3-5-13(15)16(14)19/h2-8,18H,1H3.
What are the key properties of 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one?
3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one has a molecular weight of 270.26 g/mol, XLogP of 3.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-2-methylphenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 71483517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).