9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione

C12H5ClO5 — CID 54705919

IUPAC9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
SMILESO=c1cc(O)c2c(=O)oc3ccc(Cl)cc3c2o1
InChIInChI=1S/C12H5ClO5/c13-5-1-2-8-6(3-5)11-10(12(16)17-8)7(14)4-9(15)18-11/h1-4,14H
InChIKeyKQWBWFPZNHMQJR-UHFFFAOYSA-N
MW264.62 g/mol
LogP2.26
Rot. Bonds

About 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione

9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione (PubChem CID 54705919) has the molecular formula C12H5ClO5 and a molecular weight of 264.62 g/mol. Its IUPAC name is 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
PubChem CID54705919
Molecular FormulaC12H5ClO5
Molecular Weight264.62 g/mol
Exact Mass263.98
IUPAC Name9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione
SMILESO=c1cc(O)c2c(=O)oc3ccc(Cl)cc3c2o1
InChIInChI=1S/C12H5ClO5/c13-5-1-2-8-6(3-5)11-10(12(16)17-8)7(14)4-9(15)18-11/h1-4,14H
InChIKeyKQWBWFPZNHMQJR-UHFFFAOYSA-N
XLogP2.26
TPSA80.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.62
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

2-chloro-10-fluoro-8,9-dihydroxy-[1]benzofuro[3,2-c]chromen-6-one
CID 132547250
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
8-[bis(prop-2-enyl)amino]-4-hydroxypyrano[3,2-c]chromene-2,5-dione
CID 87601155
6-chloro-3-hydroxychromen-2-one
CID 15339907
methyl 2,2-bis(6-chloro-4-hydroxy-2-oxochromen-3-yl)acetate
CID 54678009
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-4-hydroxychromen-2-one;6-chloro-4-(piperidin-3-ylmethoxy)chromen-2-one
CID 159214856
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
4-(bromomethyl)-6-chlorochromen-2-one
CID 12936141

Frequently Asked Questions

What is the IUPAC name of 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione (CID 54705919) is 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione is O=c1cc(O)c2c(=O)oc3ccc(Cl)cc3c2o1.
What is the InChIKey of 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
The InChIKey is KQWBWFPZNHMQJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H5ClO5/c13-5-1-2-8-6(3-5)11-10(12(16)17-8)7(14)4-9(15)18-11/h1-4,14H.
What are the key properties of 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione?
9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione has a molecular weight of 264.62 g/mol, XLogP of 2.26, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-4-hydroxypyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 54705919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).