9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one

C26H14O8 — CID 11510769

IUPAC9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(-c3cc4c(cc3O)c(=O)oc3cc(O)ccc34)c(O)cc12
InChIInChI=1S/C26H14O8/c27-11-1-3-13-15-7-17(21(29)9-19(15)25(31)33-23(13)5-11)18-8-16-14-4-2-12(28)6-24(14)34-26(32)20(16)10-22(18)30/h1-10,27-30H
InChIKeyOHVHPHOWNRTMHJ-UHFFFAOYSA-N
MW454.39 g/mol
LogP4.70
Rot. Bonds1

About 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one

9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one (PubChem CID 11510769) has the molecular formula C26H14O8 and a molecular weight of 454.39 g/mol. Its IUPAC name is 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one.

Molecular Properties

Compound Name9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
PubChem CID11510769
Molecular FormulaC26H14O8
Molecular Weight454.39 g/mol
Exact Mass454.07
IUPAC Name9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one
SMILESO=c1oc2cc(O)ccc2c2cc(-c3cc4c(cc3O)c(=O)oc3cc(O)ccc34)c(O)cc12
InChIInChI=1S/C26H14O8/c27-11-1-3-13-15-7-17(21(29)9-19(15)25(31)33-23(13)5-11)18-8-16-14-4-2-12(28)6-24(14)34-26(32)20(16)10-22(18)30/h1-10,27-30H
InChIKeyOHVHPHOWNRTMHJ-UHFFFAOYSA-N
XLogP4.70
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.39
LogP ≤ 54.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one?
The IUPAC name of 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one (CID 11510769) is 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one.
What is the SMILES notation for 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one?
The canonical SMILES for 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one is O=c1oc2cc(O)ccc2c2cc(-c3cc4c(cc3O)c(=O)oc3cc(O)ccc34)c(O)cc12.
What is the InChIKey of 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one?
The InChIKey is OHVHPHOWNRTMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H14O8/c27-11-1-3-13-15-7-17(21(29)9-19(15)25(31)33-23(13)5-11)18-8-16-14-4-2-12(28)6-24(14)34-26(32)20(16)10-22(18)30/h1-10,27-30H.
What are the key properties of 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one?
9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one has a molecular weight of 454.39 g/mol, XLogP of 4.70, 1 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,8-dihydroxy-6-oxobenzo[c]chromen-9-yl)-3,8-dihydroxybenzo[c]chromen-6-one is sourced from PubChem (CID 11510769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).