5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

C32H26O10 — CID 10325700

IUPAC5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1
InChIInChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)29(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
InChIKeyFFNPXDMNZBCNMN-UHFFFAOYSA-N
MW570.55 g/mol
LogP5.94
Rot. Bonds5

About 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one

5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one (PubChem CID 10325700) has the molecular formula C32H26O10 and a molecular weight of 570.55 g/mol. Its IUPAC name is 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one.

Molecular Properties

Compound Name5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
PubChem CID10325700
Molecular FormulaC32H26O10
Molecular Weight570.55 g/mol
Exact Mass570.15
IUPAC Name5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one
SMILESCOc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1
InChIInChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)29(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3
InChIKeyFFNPXDMNZBCNMN-UHFFFAOYSA-N
XLogP5.94
TPSA137.80 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.55
LogP ≤ 55.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', '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 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The IUPAC name of 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one (CID 10325700) is 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one.
What is the SMILES notation for 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The canonical SMILES for 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one is COc1cc(OC)c2c(O)c3c(=O)cc(C)oc3c(-c3c(OC)cc4cc(O)c5c(=O)cc(C)oc5c4c3OC)c2c1.
What is the InChIKey of 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
The InChIKey is FFNPXDMNZBCNMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O10/c1-13-7-18(33)26-20(35)9-15-10-21(38-4)28(30(40-6)23(15)31(26)41-13)25-17-11-16(37-3)12-22(39-5)24(17)29(36)27-19(34)8-14(2)42-32(25)27/h7-12,35-36H,1-6H3.
What are the key properties of 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one?
5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one has a molecular weight of 570.55 g/mol, XLogP of 5.94, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-9-(5-hydroxy-6,8-dimethoxy-2-methyl-4-oxobenzo[g]chromen-10-yl)-8,10-dimethoxy-2-methylbenzo[h]chromen-4-one is sourced from PubChem (CID 10325700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).