8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one

C36H34O11 — CID 23642918

IUPAC8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one
SMILESCCCc1cc(=O)c2c(OC)c3c(OC)cc(O)c(Oc4c(O)cc(OC)c5c(OC)c6c(=O)cc(CCC)oc6cc45)c3cc2o1
InChIInChI=1S/C36H34O11/c1-7-9-17-11-21(37)31-27(45-17)13-19-29(35(31)43-5)25(41-3)15-23(39)33(19)47-34-20-14-28-32(22(38)12-18(46-28)10-8-2)36(44-6)30(20)26(42-4)16-24(34)40/h11-16,39-40H,7-10H2,1-6H3
InChIKeyJBNOXTFOMBSBBS-UHFFFAOYSA-N
MW642.66 g/mol
LogP7.35
Rot. Bonds10

About 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one

8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one (PubChem CID 23642918) has the molecular formula C36H34O11 and a molecular weight of 642.66 g/mol. Its IUPAC name is 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one.

Molecular Properties

Compound Name8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one
PubChem CID23642918
Molecular FormulaC36H34O11
Molecular Weight642.66 g/mol
Exact Mass642.21
IUPAC Name8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one
SMILESCCCc1cc(=O)c2c(OC)c3c(OC)cc(O)c(Oc4c(O)cc(OC)c5c(OC)c6c(=O)cc(CCC)oc6cc45)c3cc2o1
InChIInChI=1S/C36H34O11/c1-7-9-17-11-21(37)31-27(45-17)13-19-29(35(31)43-5)25(41-3)15-23(39)33(19)47-34-20-14-28-32(22(38)12-18(46-28)10-8-2)36(44-6)30(20)26(42-4)16-24(34)40/h11-16,39-40H,7-10H2,1-6H3
InChIKeyJBNOXTFOMBSBBS-UHFFFAOYSA-N
XLogP7.35
TPSA147.03 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500642.66
LogP ≤ 57.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one?
The IUPAC name of 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one (CID 23642918) is 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one.
What is the SMILES notation for 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one?
The canonical SMILES for 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one is CCCc1cc(=O)c2c(OC)c3c(OC)cc(O)c(Oc4c(O)cc(OC)c5c(OC)c6c(=O)cc(CCC)oc6cc45)c3cc2o1.
What is the InChIKey of 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one?
The InChIKey is JBNOXTFOMBSBBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H34O11/c1-7-9-17-11-21(37)31-27(45-17)13-19-29(35(31)43-5)25(41-3)15-23(39)33(19)47-34-20-14-28-32(22(38)12-18(46-28)10-8-2)36(44-6)30(20)26(42-4)16-24(34)40/h11-16,39-40H,7-10H2,1-6H3.
What are the key properties of 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one?
8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one has a molecular weight of 642.66 g/mol, XLogP of 7.35, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-9-(8-hydroxy-5,6-dimethoxy-4-oxo-2-propylbenzo[g]chromen-9-yl)oxy-5,6-dimethoxy-2-propylbenzo[g]chromen-4-one is sourced from PubChem (CID 23642918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).