(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

C23H16O7 — CID 97488578

IUPAC(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1
InChIInChI=1S/C23H16O7/c1-11-7-19(24)30-23-13(11)4-6-18-21(23)14(9-20(25)29-18)16-10-28-17-5-3-12(27-2)8-15(17)22(16)26/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyMGHWOTQCEAPMOY-AWEZNQCLSA-N
MW404.37 g/mol
LogP3.66
Rot. Bonds2

About (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (PubChem CID 97488578) has the molecular formula C23H16O7 and a molecular weight of 404.37 g/mol. Its IUPAC name is (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
PubChem CID97488578
Molecular FormulaC23H16O7
Molecular Weight404.37 g/mol
Exact Mass404.09
IUPAC Name(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1
InChIInChI=1S/C23H16O7/c1-11-7-19(24)30-23-13(11)4-6-18-21(23)14(9-20(25)29-18)16-10-28-17-5-3-12(27-2)8-15(17)22(16)26/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1
InChIKeyMGHWOTQCEAPMOY-AWEZNQCLSA-N
XLogP3.66
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99996095
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99992460
(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125427861
2-[(2,4-dimethoxyphenyl)methylidene]-9-(6-methoxy-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163092548
(2Z)-2-[(4-methoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 91637481
(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488180
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
(10R)-10-(7-chloro-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97487849
(2Z)-2-[(2,3-dimethoxyphenyl)methylidene]-9-(6-methyl-4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102564621
(10R)-10-(4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-f]chromene-4,8-dione
CID 124879681

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (CID 97488578) is (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is COc1ccc2occ([C@@H]3CC(=O)Oc4ccc5c(C)cc(=O)oc5c43)c(=O)c2c1.
What is the InChIKey of (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The InChIKey is MGHWOTQCEAPMOY-AWEZNQCLSA-N. The full InChI is InChI=1S/C23H16O7/c1-11-7-19(24)30-23-13(11)4-6-18-21(23)14(9-20(25)29-18)16-10-28-17-5-3-12(27-2)8-15(17)22(16)26/h3-8,10,14H,9H2,1-2H3/t14-/m0/s1.
What are the key properties of (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione has a molecular weight of 404.37 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 97488578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).