8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one

C15H9Cl2FO3 — CID 143663617

IUPAC8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
SMILESO=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1
InChIInChI=1S/C15H9Cl2FO3/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10/h1-3,5,20H,4,6H2
InChIKeyBXFKIFYUSDXHSN-UHFFFAOYSA-N
MW327.14 g/mol
LogP4.01
Rot. Bonds1

About 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one

8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one (PubChem CID 143663617) has the molecular formula C15H9Cl2FO3 and a molecular weight of 327.14 g/mol. Its IUPAC name is 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one.

Molecular Properties

Compound Name8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
PubChem CID143663617
Molecular FormulaC15H9Cl2FO3
Molecular Weight327.14 g/mol
Exact Mass325.99
IUPAC Name8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one
SMILESO=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1
InChIInChI=1S/C15H9Cl2FO3/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10/h1-3,5,20H,4,6H2
InChIKeyBXFKIFYUSDXHSN-UHFFFAOYSA-N
XLogP4.01
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.14
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one?
The IUPAC name of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one (CID 143663617) is 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one.
What is the SMILES notation for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one?
The canonical SMILES for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one is O=C1COc2c(cc(F)cc2-c2c(Cl)ccc(O)c2Cl)C1.
What is the InChIKey of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one?
The InChIKey is BXFKIFYUSDXHSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2FO3/c16-11-1-2-12(20)14(17)13(11)10-5-8(18)3-7-4-9(19)6-21-15(7)10/h1-3,5,20H,4,6H2.
What are the key properties of 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one?
8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one has a molecular weight of 327.14 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,6-dichloro-3-hydroxyphenyl)-6-fluoro-4H-chromen-3-one is sourced from PubChem (CID 143663617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).