(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

C26H20O6 — CID 97424502

IUPAC(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c3c(=O)cc(-c4ccccc4)oc3c21
InChIInChI=1S/C26H20O6/c1-29-19-11-7-6-10-16(19)17-12-23(28)31-22-14-21(30-2)25-18(27)13-20(32-26(25)24(17)22)15-8-4-3-5-9-15/h3-11,13-14,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyWLXFQWMSMJCXPY-KRWDZBQOSA-N
MW428.44 g/mol
LogP4.92
Rot. Bonds4

About (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione

(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (PubChem CID 97424502) has the molecular formula C26H20O6 and a molecular weight of 428.44 g/mol. Its IUPAC name is (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.

Molecular Properties

Compound Name(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
PubChem CID97424502
Molecular FormulaC26H20O6
Molecular Weight428.44 g/mol
Exact Mass428.13
IUPAC Name(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
SMILESCOc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c3c(=O)cc(-c4ccccc4)oc3c21
InChIInChI=1S/C26H20O6/c1-29-19-11-7-6-10-16(19)17-12-23(28)31-22-14-21(30-2)25-18(27)13-20(32-26(25)24(17)22)15-8-4-3-5-9-15/h3-11,13-14,17H,12H2,1-2H3/t17-/m0/s1
InChIKeyWLXFQWMSMJCXPY-KRWDZBQOSA-N
XLogP4.92
TPSA74.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione with MolForge

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Related Compounds

(10S)-5-methoxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97425608
(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
methyl 4-(5-methoxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl)benzoate
CID 71827106
(10S)-5-hydroxy-2-phenyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97423912
(10S)-5-hydroxy-2-phenyl-10-(2,3,4-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424731
(10S)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99995119
(10R)-10-(2,4-dimethoxyphenyl)-5-hydroxy-2-(4-hydroxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985971
5-hydroxy-2-(4-hydroxyphenyl)-10-(2-propan-2-yloxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 91637527
(10S)-5-hydroxy-10-(7-methoxy-2-oxo-1H-quinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424990
(10R)-10-(2,3-dimethoxyphenyl)-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 99985008
2-(3,4-dihydroxyphenyl)-10-(2,3-dimethoxyphenyl)-5-hydroxy-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 71827011
(10R)-5-hydroxy-10-(1-methyl-2-oxoquinolin-3-yl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424971

Frequently Asked Questions

What is the IUPAC name of (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The IUPAC name of (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione (CID 97424502) is (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione.
What is the SMILES notation for (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The canonical SMILES for (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is COc1ccccc1[C@@H]1CC(=O)Oc2cc(OC)c3c(=O)cc(-c4ccccc4)oc3c21.
What is the InChIKey of (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
The InChIKey is WLXFQWMSMJCXPY-KRWDZBQOSA-N. The full InChI is InChI=1S/C26H20O6/c1-29-19-11-7-6-10-16(19)17-12-23(28)31-22-14-21(30-2)25-18(27)13-20(32-26(25)24(17)22)15-8-4-3-5-9-15/h3-11,13-14,17H,12H2,1-2H3/t17-/m0/s1.
What are the key properties of (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione?
(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione has a molecular weight of 428.44 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione is sourced from PubChem (CID 97424502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).