7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one

C18H10O6 — CID 10925304

IUPAC7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
SMILESO=c1ccc2ccc(Oc3cc4ccc(O)cc4oc3=O)cc2o1
InChIInChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H
InChIKeyWNLKKLCKMRDNHF-UHFFFAOYSA-N
MW322.27 g/mol
LogP3.40
Rot. Bonds2

About 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one

7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one (PubChem CID 10925304) has the molecular formula C18H10O6 and a molecular weight of 322.27 g/mol. Its IUPAC name is 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one.

Molecular Properties

Compound Name7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
PubChem CID10925304
Molecular FormulaC18H10O6
Molecular Weight322.27 g/mol
Exact Mass322.05
IUPAC Name7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one
SMILESO=c1ccc2ccc(Oc3cc4ccc(O)cc4oc3=O)cc2o1
InChIInChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H
InChIKeyWNLKKLCKMRDNHF-UHFFFAOYSA-N
XLogP3.40
TPSA89.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The IUPAC name of 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one (CID 10925304) is 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one.
What is the SMILES notation for 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The canonical SMILES for 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one is O=c1ccc2ccc(Oc3cc4ccc(O)cc4oc3=O)cc2o1.
What is the InChIKey of 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
The InChIKey is WNLKKLCKMRDNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O6/c19-12-4-1-11-7-16(18(21)24-14(11)8-12)22-13-5-2-10-3-6-17(20)23-15(10)9-13/h1-9,19H.
What are the key properties of 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one?
7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one has a molecular weight of 322.27 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-3-(2-oxochromen-7-yl)oxychromen-2-one is sourced from PubChem (CID 10925304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).