(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

C15H16O5 — CID 102216544

IUPAC(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
SMILESCOc1cc2c(c3oc(=O)ccc13)[C@@H](O)CC(C)(C)O2
InChIInChI=1S/C15H16O5/c1-15(2)7-9(16)13-11(20-15)6-10(18-3)8-4-5-12(17)19-14(8)13/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1
InChIKeyQJCFOCITELFVGJ-VIFPVBQESA-N
MW276.29 g/mol
LogP2.40
Rot. Bonds1

About (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one

(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one (PubChem CID 102216544) has the molecular formula C15H16O5 and a molecular weight of 276.29 g/mol. Its IUPAC name is (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one.

Molecular Properties

Compound Name(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
PubChem CID102216544
Molecular FormulaC15H16O5
Molecular Weight276.29 g/mol
Exact Mass276.10
IUPAC Name(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one
SMILESCOc1cc2c(c3oc(=O)ccc13)[C@@H](O)CC(C)(C)O2
InChIInChI=1S/C15H16O5/c1-15(2)7-9(16)13-11(20-15)6-10(18-3)8-4-5-12(17)19-14(8)13/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1
InChIKeyQJCFOCITELFVGJ-VIFPVBQESA-N
XLogP2.40
TPSA68.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6,7-dimethoxy-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 14334290
7-methoxy-2,2-dimethyl-3,4-dihydrochromene-4,5-diol
CID 13123193
[(9R,10R)-5-methoxy-8,8-dimethyl-2-oxo-9-[(1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carbonyl]oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] (1S,4S)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylate
CID 100980471
(4S)-4-hydroxy-5-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
CID 12039177
CID 68876636
CID 68876636
1-(4,5-dihydroxy-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one
CID 25201265
(4R)-2,2-dimethyl-3,4-dihydrochromene-4,6-diol
CID 162926407
(2S,3R,4R,4aS,5S,8aR)-4,5-bis(5,7-dimethoxy-2-oxochromen-8-yl)-7'-methoxy-7,8a-dimethyl-2-(2-methylprop-1-enyl)spiro[1,2,4,4a,5,8-hexahydronaphthalene-3,8'-chromene]-2',5'-dione
CID 132598642
(2R,3R,4S,4aR,5R,8aS)-4,5-bis(5,7-dimethoxy-2-oxochromen-8-yl)-7'-methoxy-7,8a-dimethyl-2-(2-methylprop-1-enyl)spiro[1,2,4,4a,5,8-hexahydronaphthalene-3,8'-chromene]-2',5'-dione
CID 132598643
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
(1R,13R,16S,18R)-9-hydroxy-13,17,17-trimethyl-4,12-dioxapentacyclo[11.4.1.02,11.03,8.016,18]octadeca-2(11),3(8),6,9-tetraen-5-one
CID 102442925
7-(methoxymethoxy)-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 65365060

Frequently Asked Questions

What is the IUPAC name of (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The IUPAC name of (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one (CID 102216544) is (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one.
What is the SMILES notation for (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The canonical SMILES for (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one is COc1cc2c(c3oc(=O)ccc13)[C@@H](O)CC(C)(C)O2.
What is the InChIKey of (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
The InChIKey is QJCFOCITELFVGJ-VIFPVBQESA-N. The full InChI is InChI=1S/C15H16O5/c1-15(2)7-9(16)13-11(20-15)6-10(18-3)8-4-5-12(17)19-14(8)13/h4-6,9,16H,7H2,1-3H3/t9-/m0/s1.
What are the key properties of (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one?
(10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one has a molecular weight of 276.29 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (10S)-10-hydroxy-5-methoxy-8,8-dimethyl-9,10-dihydropyrano[2,3-f]chromen-2-one is sourced from PubChem (CID 102216544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).