(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C27H20O7 — CID 97423808

IUPAC(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2
InChIInChI=1S/C27H20O7/c1-30-22-14-23-25(27-26(22)18(28)13-20(34-27)15-5-3-2-4-6-15)17(12-24(29)33-23)16-7-8-19-21(11-16)32-10-9-31-19/h2-8,11,13-14,17H,9-10,12H2,1H3/t17-/m0/s1
InChIKeyFWKMCDIBUNXKMZ-KRWDZBQOSA-N
MW456.45 g/mol
LogP4.68
Rot. Bonds3

About (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97423808) has the molecular formula C27H20O7 and a molecular weight of 456.45 g/mol. Its IUPAC name is (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97423808
Molecular FormulaC27H20O7
Molecular Weight456.45 g/mol
Exact Mass456.12
IUPAC Name(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2
InChIInChI=1S/C27H20O7/c1-30-22-14-23-25(27-26(22)18(28)13-20(34-27)15-5-3-2-4-6-15)17(12-24(29)33-23)16-7-8-19-21(11-16)32-10-9-31-19/h2-8,11,13-14,17H,9-10,12H2,1H3/t17-/m0/s1
InChIKeyFWKMCDIBUNXKMZ-KRWDZBQOSA-N
XLogP4.68
TPSA84.20 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.45
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione with MolForge

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Launch Full Analysis

Related Compounds

(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424502
methyl 4-(5-methoxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl)benzoate
CID 71827106
(10S)-5-methoxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425608
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637654
(10R)-10-(1,3-benzodioxol-5-yl)-5,6-dihydroxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425128
5,6-dihydroxy-10-(4-hydroxy-3-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827308
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912
10-(1,3-benzodioxol-5-yl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91638077
(10S)-2-(3,4-dihydroxyphenyl)-5-hydroxy-10-(4-hydroxy-3-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424630
(10S)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424899
(10R)-5-hydroxy-10-(3-hydroxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424900
(10S)-5-hydroxy-10-(3-hydroxy-4-methoxyphenyl)-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99997272

Frequently Asked Questions

What is the IUPAC name of (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97423808) is (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1cc2c(c3oc(-c4ccccc4)cc(=O)c13)[C@H](c1ccc3c(c1)OCCO3)CC(=O)O2.
What is the InChIKey of (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is FWKMCDIBUNXKMZ-KRWDZBQOSA-N. The full InChI is InChI=1S/C27H20O7/c1-30-22-14-23-25(27-26(22)18(28)13-20(34-27)15-5-3-2-4-6-15)17(12-24(29)33-23)16-7-8-19-21(11-16)32-10-9-31-19/h2-8,11,13-14,17H,9-10,12H2,1H3/t17-/m0/s1.
What are the key properties of (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 456.45 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-methoxy-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97423808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).