6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one

C15H8ClFO3 — CID 58913663

IUPAC6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2ccccc2F)coc2cc(O)c(Cl)cc12
InChIInChI=1S/C15H8ClFO3/c16-11-5-9-14(6-13(11)18)20-7-10(15(9)19)8-3-1-2-4-12(8)17/h1-7,18H
InChIKeyAHPHAELRIHLSMT-UHFFFAOYSA-N
MW290.68 g/mol
LogP3.96
Rot. Bonds1

About 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one

6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one (PubChem CID 58913663) has the molecular formula C15H8ClFO3 and a molecular weight of 290.68 g/mol. Its IUPAC name is 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one.

Molecular Properties

Compound Name6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one
PubChem CID58913663
Molecular FormulaC15H8ClFO3
Molecular Weight290.68 g/mol
Exact Mass290.01
IUPAC Name6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one
SMILESO=c1c(-c2ccccc2F)coc2cc(O)c(Cl)cc12
InChIInChI=1S/C15H8ClFO3/c16-11-5-9-14(6-13(11)18)20-7-10(15(9)19)8-3-1-2-4-12(8)17/h1-7,18H
InChIKeyAHPHAELRIHLSMT-UHFFFAOYSA-N
XLogP3.96
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.68
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one?
The IUPAC name of 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one (CID 58913663) is 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one.
What is the SMILES notation for 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one?
The canonical SMILES for 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one is O=c1c(-c2ccccc2F)coc2cc(O)c(Cl)cc12.
What is the InChIKey of 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one?
The InChIKey is AHPHAELRIHLSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClFO3/c16-11-5-9-14(6-13(11)18)20-7-10(15(9)19)8-3-1-2-4-12(8)17/h1-7,18H.
What are the key properties of 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one?
6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one has a molecular weight of 290.68 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-fluorophenyl)-7-hydroxychromen-4-one is sourced from PubChem (CID 58913663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).