(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

C20H14O7 — CID 99996095

IUPAC(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1
InChIInChI=1S/C20H14O7/c1-23-10-2-3-15-13(4-10)20(22)14(8-24-15)11-6-19(21)27-16-7-18-17(5-12(11)16)25-9-26-18/h2-5,7-8,11H,6,9H2,1H3/t11-/m0/s1
InChIKeyNCONZLUSDUKMMI-NSHDSACASA-N
MW366.33 g/mol
LogP2.97
Rot. Bonds2

About (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one

(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (PubChem CID 99996095) has the molecular formula C20H14O7 and a molecular weight of 366.33 g/mol. Its IUPAC name is (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.

Molecular Properties

Compound Name(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
PubChem CID99996095
Molecular FormulaC20H14O7
Molecular Weight366.33 g/mol
Exact Mass366.07
IUPAC Name(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
SMILESCOc1ccc2occ([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1
InChIInChI=1S/C20H14O7/c1-23-10-2-3-15-13(4-10)20(22)14(8-24-15)11-6-19(21)27-16-7-18-17(5-12(11)16)25-9-26-18/h2-5,7-8,11H,6,9H2,1H3/t11-/m0/s1
InChIKeyNCONZLUSDUKMMI-NSHDSACASA-N
XLogP2.97
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one with MolForge

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Launch Full Analysis

Related Compounds

(10R)-10-(6-methoxy-4-oxochromen-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97488578
7-methoxy-3-[(8R)-6-oxo-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-8-yl]-1H-quinolin-2-one
CID 99986944
(4R)-4-(6-methoxy-4-oxochromen-3-yl)-3,4-dihydropyrano[3,2-c]chromene-2,5-dione
CID 99992460
9-(6-methoxy-4-oxochromen-3-yl)-2-[(4-methoxyphenyl)methylidene]-8,9-dihydrofuro[2,3-f]chromene-3,7-dione
CID 163088766
(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
8-(furan-2-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one
CID 91638443
6-methoxy-4-(4-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 44601497
6-methoxy-4-(3,4,5-trimethoxyphenyl)-3,4-dihydrochromen-2-one
CID 15419594
18-methoxy-5,7,14-trioxapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1(13),2,4(8),9,11,15(20),16,18-octaen-21-one
CID 135196704
(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

Frequently Asked Questions

What is the IUPAC name of (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The IUPAC name of (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one (CID 99996095) is (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one.
What is the SMILES notation for (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The canonical SMILES for (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is COc1ccc2occ([C@H]3CC(=O)Oc4cc5c(cc43)OCO5)c(=O)c2c1.
What is the InChIKey of (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
The InChIKey is NCONZLUSDUKMMI-NSHDSACASA-N. The full InChI is InChI=1S/C20H14O7/c1-23-10-2-3-15-13(4-10)20(22)14(8-24-15)11-6-19(21)27-16-7-18-17(5-12(11)16)25-9-26-18/h2-5,7-8,11H,6,9H2,1H3/t11-/m0/s1.
What are the key properties of (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one?
(8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one has a molecular weight of 366.33 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (8S)-8-(6-methoxy-4-oxochromen-3-yl)-7,8-dihydro-[1,3]dioxolo[4,5-g]chromen-6-one is sourced from PubChem (CID 99996095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).