2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

C15H6ClFO5 — CID 132547250

IUPAC2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2ccc(Cl)cc2c2oc3c(F)c(O)c(O)cc3c12
InChIInChI=1S/C15H6ClFO5/c16-5-1-2-9-6(3-5)13-10(15(20)21-9)7-4-8(18)12(19)11(17)14(7)22-13/h1-4,18-19H
InChIKeyAMKIELNGAAODHG-UHFFFAOYSA-N
MW320.66 g/mol
LogP3.90
Rot. Bonds

About 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one

2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (PubChem CID 132547250) has the molecular formula C15H6ClFO5 and a molecular weight of 320.66 g/mol. Its IUPAC name is 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.

Molecular Properties

Compound Name2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
PubChem CID132547250
Molecular FormulaC15H6ClFO5
Molecular Weight320.66 g/mol
Exact Mass319.99
IUPAC Name2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
SMILESO=c1oc2ccc(Cl)cc2c2oc3c(F)c(O)c(O)cc3c12
InChIInChI=1S/C15H6ClFO5/c16-5-1-2-9-6(3-5)13-10(15(20)21-9)7-4-8(18)12(19)11(17)14(7)22-13/h1-4,18-19H
InChIKeyAMKIELNGAAODHG-UHFFFAOYSA-N
XLogP3.90
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.66
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}

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Related Compounds

9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
CID 54705919
9-chloro-4-hydroxy-2,5-dioxopyrano[3,2-c]chromene-3-carboxamide
CID 102329975
3,8-dichloro-2-phenylfuro[3,2-c]chromen-4-one
CID 24905989
6-chloro-4-hydroxy-3-(2-hydroxyethyl)chromen-2-one
CID 54678507
sodium 6-chloro-4-hydroxy-3-nitrochromen-2-one
CID 54710981
6-chloro-3-hydroxychromen-2-one
CID 15339907
sodium;6-chloro-4-hydroxy-3-nitrochromen-2-one;hydride
CID 173461461
6-chloro-3-[1-(6-chloro-4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]-4-hydroxychromen-2-one
CID 54678108
6-chloro-3-[(E)-N-ethoxy-C-propylcarbonimidoyl]-4-hydroxychromen-2-one
CID 137316863
6-chloro-4-hydroxy-3-[(E)-3-phenylprop-2-enyl]chromen-2-one
CID 54678948
methyl 2,2-bis(6-chloro-4-hydroxy-2-oxochromen-3-yl)acetate
CID 54678009
2-bromo-3,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 42600759

Frequently Asked Questions

What is the IUPAC name of 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The IUPAC name of 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one (CID 132547250) is 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one.
What is the SMILES notation for 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The canonical SMILES for 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is O=c1oc2ccc(Cl)cc2c2oc3c(F)c(O)c(O)cc3c12.
What is the InChIKey of 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
The InChIKey is AMKIELNGAAODHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H6ClFO5/c16-5-1-2-9-6(3-5)13-10(15(20)21-9)7-4-8(18)12(19)11(17)14(7)22-13/h1-4,18-19H.
What are the key properties of 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one?
2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one has a molecular weight of 320.66 g/mol, XLogP of 3.90, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one is sourced from PubChem (CID 132547250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).