(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione

C22H18O7 — CID 99985297

IUPAC(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21
InChIInChI=1S/C22H18O7/c1-10-8-15(24)28-21-17(10)20(26)18(11(2)23)22-19(21)13(9-16(25)29-22)12-6-4-5-7-14(12)27-3/h4-8,13,26H,9H2,1-3H3/t13-/m1/s1
InChIKeyGFETVUKXKJCUSK-CYBMUJFWSA-N
MW394.38 g/mol
LogP3.46
Rot. Bonds3

About (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione

(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (PubChem CID 99985297) has the molecular formula C22H18O7 and a molecular weight of 394.38 g/mol. Its IUPAC name is (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.

Molecular Properties

Compound Name(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
PubChem CID99985297
Molecular FormulaC22H18O7
Molecular Weight394.38 g/mol
Exact Mass394.11
IUPAC Name(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
SMILESCOc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21
InChIInChI=1S/C22H18O7/c1-10-8-15(24)28-21-17(10)20(26)18(11(2)23)22-19(21)13(9-16(25)29-22)12-6-4-5-7-14(12)27-3/h4-8,13,26H,9H2,1-3H3/t13-/m1/s1
InChIKeyGFETVUKXKJCUSK-CYBMUJFWSA-N
XLogP3.46
TPSA103.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.38
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione with MolForge

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Related Compounds

6-acetyl-10-(2,4-dimethoxyphenyl)-5-hydroxy-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 102564845
6-acetyl-5-hydroxy-4-methyl-10-(2,4,5-trimethoxyphenyl)-9,10-dihydropyrano[2,3-h]chromene-2,8-dione
CID 91637784
2-[3-[(10S)-6-acetyl-5-hydroxy-4-methyl-2,8-dioxo-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetamide
CID 99999071
(10R)-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 97046015
(10S)-5-methoxy-10-(2-methoxyphenyl)-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 97424502
methyl 2-[2-[(10R)-5,6-dihydroxy-4,8-dioxo-2-phenyl-9,10-dihydropyrano[2,3-h]chromen-10-yl]phenoxy]acetate
CID 97425235
(4S)-5,6,7-trimethoxy-4-(2-methoxyphenyl)-3,4-dihydrochromen-2-one
CID 6540077
6-hydroxy-10-(4-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355823
(10R)-5,6-dihydroxy-10-[2-[2-(4-methoxyphenyl)ethoxy]phenyl]-2-phenyl-9,10-dihydropyrano[2,3-h]chromene-4,8-dione
CID 98885051
(4R)-5-methyl-10-phenyl-4-(2,4,5-trimethoxyphenyl)-3,4-dihydropyrano[2,3-h]chromene-2,8-dione
CID 124875933
6-acetyl-4-(2,4-dimethoxyphenyl)-5-hydroxy-3,4-dihydrochromen-2-one
CID 91636673
6-hydroxy-10-(7-methoxy-1-methyl-2-oxoquinolin-3-yl)-4-methyl-9,10-dihydropyrano[2,3-f]chromene-2,8-dione
CID 163355821

Frequently Asked Questions

What is the IUPAC name of (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The IUPAC name of (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione (CID 99985297) is (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione.
What is the SMILES notation for (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The canonical SMILES for (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is COc1ccccc1[C@H]1CC(=O)Oc2c(C(C)=O)c(O)c3c(C)cc(=O)oc3c21.
What is the InChIKey of (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
The InChIKey is GFETVUKXKJCUSK-CYBMUJFWSA-N. The full InChI is InChI=1S/C22H18O7/c1-10-8-15(24)28-21-17(10)20(26)18(11(2)23)22-19(21)13(9-16(25)29-22)12-6-4-5-7-14(12)27-3/h4-8,13,26H,9H2,1-3H3/t13-/m1/s1.
What are the key properties of (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione?
(10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione has a molecular weight of 394.38 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (10R)-6-acetyl-5-hydroxy-10-(2-methoxyphenyl)-4-methyl-9,10-dihydropyrano[2,3-h]chromene-2,8-dione is sourced from PubChem (CID 99985297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).