6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one

C15H7Cl2FO3 — CID 172725983

IUPAC6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H7Cl2FO3/c16-8-5-10-12(19)13(20)14(21-15(10)11(17)6-8)7-1-3-9(18)4-2-7/h1-6,20H
InChIKeyHDQWRQCGDGDCLV-UHFFFAOYSA-N
MW325.12 g/mol
LogP4.61
Rot. Bonds1

About 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one

6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one (PubChem CID 172725983) has the molecular formula C15H7Cl2FO3 and a molecular weight of 325.12 g/mol. Its IUPAC name is 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one.

Molecular Properties

Compound Name6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one
PubChem CID172725983
Molecular FormulaC15H7Cl2FO3
Molecular Weight325.12 g/mol
Exact Mass323.98
IUPAC Name6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one
SMILESO=c1c(O)c(-c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12
InChIInChI=1S/C15H7Cl2FO3/c16-8-5-10-12(19)13(20)14(21-15(10)11(17)6-8)7-1-3-9(18)4-2-7/h1-6,20H
InChIKeyHDQWRQCGDGDCLV-UHFFFAOYSA-N
XLogP4.61
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.12
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dihydroxyphenyl)-6,8-difluoro-3-hydroxychromen-4-one
CID 18345210
3,6,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one
CID 57368437
2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxyacetic acid
CID 7747825
(5,7-dichloro-3-methyl-1-benzofuran-2-yl)-(4-fluorophenyl)methanone
CID 2768992
(2R)-2-(6,8-dichloro-4-oxo-2-phenylchromen-3-yl)oxypropanoic acid
CID 7747832
3,7,8-trihydroxy-2-(4-hydroxyphenyl)chromen-4-one;hydrate
CID 121233655
6,8-dichloro-3-[(3-chlorophenyl)methoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001716
6,8-dichloro-2-(4-chlorophenyl)chromen-4-one
CID 688877
3,7-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one;methane
CID 157253645
6,8-dichloro-3-[2-(4-methoxyphenyl)-2-oxoethoxy]-2-(4-methylphenyl)chromen-4-one
CID 21001729
5,7-dichloro-2-(4-fluorophenyl)-1,3-benzoxazole
CID 94980518
(6,8-dichloro-4-oxo-2-phenylchromen-3-yl) 2-oxochromene-3-carboxylate
CID 21001638

Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one?
The IUPAC name of 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one (CID 172725983) is 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one.
What is the SMILES notation for 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one?
The canonical SMILES for 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one is O=c1c(O)c(-c2ccc(F)cc2)oc2c(Cl)cc(Cl)cc12.
What is the InChIKey of 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one?
The InChIKey is HDQWRQCGDGDCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2FO3/c16-8-5-10-12(19)13(20)14(21-15(10)11(17)6-8)7-1-3-9(18)4-2-7/h1-6,20H.
What are the key properties of 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one?
6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one has a molecular weight of 325.12 g/mol, XLogP of 4.61, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-2-(4-fluorophenyl)-3-hydroxychromen-4-one is sourced from PubChem (CID 172725983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).