(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

C22H14O7 — CID 99992460

IUPAC(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)c2c1
InChIInChI=1S/C22H14O7/c1-26-11-6-7-16-14(8-11)20(24)15(10-27-16)13-9-18(23)29-21-12-4-2-3-5-17(12)28-22(25)19(13)21/h2-8,10,13H,9H2,1H3/t13-/m1/s1
InChIKeyCMSFYFODJAORRP-CYBMUJFWSA-N
MW390.35 g/mol
LogP3.35
Rot. Bonds2

About (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione

(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (PubChem CID 99992460) has the molecular formula C22H14O7 and a molecular weight of 390.35 g/mol. Its IUPAC name is (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.

Molecular Properties

Compound Name(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
PubChem CID99992460
Molecular FormulaC22H14O7
Molecular Weight390.35 g/mol
Exact Mass390.07
IUPAC Name(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)c2c1
InChIInChI=1S/C22H14O7/c1-26-11-6-7-16-14(8-11)20(24)15(10-27-16)13-9-18(23)29-21-12-4-2-3-5-17(12)28-22(25)19(13)21/h2-8,10,13H,9H2,1H3/t13-/m1/s1
InChIKeyCMSFYFODJAORRP-CYBMUJFWSA-N
XLogP3.35
TPSA95.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.35
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione with MolForge

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Related Compounds

(4R)-4-(6-chloro-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99989931
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 99996095
(10S)-5-hydroxy-10-(6-methoxy-4-oxochromen-3-yl)-3-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 125427861
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
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
2-[(2-methoxyphenyl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163091475
6-acetyl-5-hydroxy-4-(4-oxochromen-3-yl)-3,4-dihydrochromen-2-one
CID 91637202
2-[4-[(4S)-2,5-dioxo-3,4-dihydropyrano[3,2-c]chromen-4-yl]-2-methoxyphenoxy]acetic acid
CID 99996426
(2Z)-2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 127254048
2-[(5-methylfuran-2-yl)methylidene]-9-(4-oxochromen-3-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163093364

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The IUPAC name of (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione (CID 99992460) is (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione.
What is the SMILES notation for (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The canonical SMILES for (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is COc1ccc2occ([C@H]3CC(=O)Oc4c3c(=O)oc3ccccc43)c(=O)c2c1.
What is the InChIKey of (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
The InChIKey is CMSFYFODJAORRP-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H14O7/c1-26-11-6-7-16-14(8-11)20(24)15(10-27-16)13-9-18(23)29-21-12-4-2-3-5-17(12)28-22(25)19(13)21/h2-8,10,13H,9H2,1H3/t13-/m1/s1.
What are the key properties of (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione?
(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione has a molecular weight of 390.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione is sourced from PubChem (CID 99992460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).