7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one

C15H7BrClFO3 — CID 156768023

IUPAC7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one
SMILESO=c1ccoc2c(Cl)c(-c3c(O)cc(Br)cc3F)ccc12
InChIInChI=1S/C15H7BrClFO3/c16-7-5-10(18)13(12(20)6-7)9-2-1-8-11(19)3-4-21-15(8)14(9)17/h1-6,20H
InChIKeyQWQCNGRCESNCMF-UHFFFAOYSA-N
MW369.57 g/mol
LogP4.72
Rot. Bonds1

About 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one

7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one (PubChem CID 156768023) has the molecular formula C15H7BrClFO3 and a molecular weight of 369.57 g/mol. Its IUPAC name is 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one.

Molecular Properties

Compound Name7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one
PubChem CID156768023
Molecular FormulaC15H7BrClFO3
Molecular Weight369.57 g/mol
Exact Mass367.93
IUPAC Name7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one
SMILESO=c1ccoc2c(Cl)c(-c3c(O)cc(Br)cc3F)ccc12
InChIInChI=1S/C15H7BrClFO3/c16-7-5-10(18)13(12(20)6-7)9-2-1-8-11(19)3-4-21-15(8)14(9)17/h1-6,20H
InChIKeyQWQCNGRCESNCMF-UHFFFAOYSA-N
XLogP4.72
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.57
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one?
The IUPAC name of 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one (CID 156768023) is 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one.
What is the SMILES notation for 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one?
The canonical SMILES for 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one is O=c1ccoc2c(Cl)c(-c3c(O)cc(Br)cc3F)ccc12.
What is the InChIKey of 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one?
The InChIKey is QWQCNGRCESNCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7BrClFO3/c16-7-5-10(18)13(12(20)6-7)9-2-1-8-11(19)3-4-21-15(8)14(9)17/h1-6,20H.
What are the key properties of 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one?
7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one has a molecular weight of 369.57 g/mol, XLogP of 4.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2-fluoro-6-hydroxyphenyl)-8-chlorochromen-4-one is sourced from PubChem (CID 156768023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).