3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one

C16H11FO4 — CID 5413043

IUPAC3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one
SMILESCc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)coc12
InChIInChI=1S/C16H11FO4/c1-9-13(18)7-6-12-15(19)14(8-20-16(9)12)21-11-4-2-10(17)3-5-11/h2-8,18H,1H3
InChIKeyUWYRSSOEJKQRHU-UHFFFAOYSA-N
MW286.26 g/mol
LogP3.74
Rot. Bonds2

About 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one

3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one (PubChem CID 5413043) has the molecular formula C16H11FO4 and a molecular weight of 286.26 g/mol. Its IUPAC name is 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one.

Molecular Properties

Compound Name3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one
PubChem CID5413043
Molecular FormulaC16H11FO4
Molecular Weight286.26 g/mol
Exact Mass286.06
IUPAC Name3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one
SMILESCc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)coc12
InChIInChI=1S/C16H11FO4/c1-9-13(18)7-6-12-15(19)14(8-20-16(9)12)21-11-4-2-10(17)3-5-11/h2-8,18H,1H3
InChIKeyUWYRSSOEJKQRHU-UHFFFAOYSA-N
XLogP3.74
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.26
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one?
The IUPAC name of 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one (CID 5413043) is 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one.
What is the SMILES notation for 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one?
The canonical SMILES for 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one is Cc1c(O)ccc2c(=O)c(Oc3ccc(F)cc3)coc12.
What is the InChIKey of 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one?
The InChIKey is UWYRSSOEJKQRHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO4/c1-9-13(18)7-6-12-15(19)14(8-20-16(9)12)21-11-4-2-10(17)3-5-11/h2-8,18H,1H3.
What are the key properties of 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one?
3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one has a molecular weight of 286.26 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenoxy)-7-hydroxy-8-methylchromen-4-one is sourced from PubChem (CID 5413043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).