(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

C21H16O7 — CID 97488180

IUPAC(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc2c1OCO2
InChIInChI=1S/C21H16O7/c1-10-5-17(22)28-20-12(10)3-4-14-19(20)13(8-18(23)27-14)11-6-15(24-2)21-16(7-11)25-9-26-21/h3-7,13H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyALCKQYOVKBRYCI-CYBMUJFWSA-N
MW380.35 g/mol
LogP3.28
Rot. Bonds2

About (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione

(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (PubChem CID 97488180) has the molecular formula C21H16O7 and a molecular weight of 380.35 g/mol. Its IUPAC name is (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.

Molecular Properties

Compound Name(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
PubChem CID97488180
Molecular FormulaC21H16O7
Molecular Weight380.35 g/mol
Exact Mass380.09
IUPAC Name(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
SMILESCOc1cc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc2c1OCO2
InChIInChI=1S/C21H16O7/c1-10-5-17(22)28-20-12(10)3-4-14-19(20)13(8-18(23)27-14)11-6-15(24-2)21-16(7-11)25-9-26-21/h3-7,13H,8-9H2,1-2H3/t13-/m1/s1
InChIKeyALCKQYOVKBRYCI-CYBMUJFWSA-N
XLogP3.28
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 53.28
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-(7-chloro-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97487849
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
(4R)-4-(7-methoxy-1,3-benzodioxol-5-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124879339
(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(7-methoxy-1,3-benzodioxol-5-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110206492
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
(10S)-3-(4-chlorophenyl)-5-hydroxy-10-(7-methoxy-1,3-benzodioxol-5-yl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 124880033
4-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-5-methyl-10-phenyl-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 110206398
(2Z)-2-(2,3-dihydro-1,4-benzodioxin-6-ylmethylidene)-9-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 110207771
(2Z)-9-(1,3-benzodioxol-5-yl)-2-[(2,3-dimethoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 102565175
(10S)-5-methoxy-10-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-3-(4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97046109
6-[(3S,3aR,6R,6aR)-6-(3,4,5-trimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-4-methoxy-1,3-benzodioxole
CID 12697528

Frequently Asked Questions

What is the IUPAC name of (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The IUPAC name of (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione (CID 97488180) is (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione.
What is the SMILES notation for (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The canonical SMILES for (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is COc1cc([C@H]2CC(=O)Oc3ccc4c(C)cc(=O)oc4c32)cc2c1OCO2.
What is the InChIKey of (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
The InChIKey is ALCKQYOVKBRYCI-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H16O7/c1-10-5-17(22)28-20-12(10)3-4-14-19(20)13(8-18(23)27-14)11-6-15(24-2)21-16(7-11)25-9-26-21/h3-7,13H,8-9H2,1-2H3/t13-/m1/s1.
What are the key properties of (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione?
(10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione has a molecular weight of 380.35 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-10-(7-methoxy-1,3-benzodioxol-5-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione is sourced from PubChem (CID 97488180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).