(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one

C21H20O5 — CID 132988935

IUPAC(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3c1C(=O)[C@@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2
InChIInChI=1S/C21H20O5/c1-21(2)10-9-13-14(26-21)11-15(24-3)16-17(22)18(23)19(25-20(13)16)12-7-5-4-6-8-12/h4-11,18-19,23H,1-3H3/t18-,19-/m1/s1
InChIKeyRUDILYVZCUZXBH-RTBURBONSA-N
MW352.39 g/mol
LogP3.56
Rot. Bonds2

About (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one

(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one (PubChem CID 132988935) has the molecular formula C21H20O5 and a molecular weight of 352.39 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
PubChem CID132988935
Molecular FormulaC21H20O5
Molecular Weight352.39 g/mol
Exact Mass352.13
IUPAC Name(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
SMILESCOc1cc2c(c3c1C(=O)[C@@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2
InChIInChI=1S/C21H20O5/c1-21(2)10-9-13-14(26-21)11-15(24-3)16-17(22)18(23)19(25-20(13)16)12-7-5-4-6-8-12/h4-11,18-19,23H,1-3H3/t18-,19-/m1/s1
InChIKeyRUDILYVZCUZXBH-RTBURBONSA-N
XLogP3.56
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(7S,8S)-5,7-dihydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163070313
(7R,8R)-5,7-dihydroxy-2,2-dimethyl-6-oxo-8-phenyl-7,8-dihydropyrano[3,2-g]chromene-10-carbaldehyde
CID 54763532
3,7-dihydroxy-5-methoxy-2-phenyl-2,3-dihydrochromen-4-one
CID 597405
(2S)-2-(1,3-benzodioxol-5-yl)-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 42608067
7-hydroxy-8-(4-hydroxyphenyl)-5-methoxy-2,2-dimethyl-10-(3-methylbut-2-enyl)-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 10646583
(2R,3R)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 10403456
(2S,3S)-3-hydroxy-2-(4-hydroxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 154496184
(2R)-8-[(3E)-4,8-dimethylnona-3,7-dienyl]-5-methoxy-8-methyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 155537241
(2R,3R)-3-hydroxy-7-methoxy-2-phenyl-3,5-dihydro-2H-1,5-benzoxazepin-4-one
CID 59863917
3,7-dihydroxy-2-(4-hydroxyphenyl)-5-methoxy-2,3-dihydrochromen-4-one
CID 14794882
2-[(3E,5E)-6-hydroxyhexa-1,3,5-trien-3-yl]-5-methoxy-8,8-dimethyl-2,3-dihydropyrano[2,3-h]chromen-4-one
CID 126659206
(7R,8S)-5-hydroxy-8-(2-hydroxyphenyl)-7-methoxy-2,2-dimethyl-7,8-dihydropyrano[3,2-g]chromen-6-one
CID 163019968

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The IUPAC name of (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one (CID 132988935) is (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one.
What is the SMILES notation for (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The canonical SMILES for (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one is COc1cc2c(c3c1C(=O)[C@@H](O)[C@@H](c1ccccc1)O3)C=CC(C)(C)O2.
What is the InChIKey of (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
The InChIKey is RUDILYVZCUZXBH-RTBURBONSA-N. The full InChI is InChI=1S/C21H20O5/c1-21(2)10-9-13-14(26-21)11-15(24-3)16-17(22)18(23)19(25-20(13)16)12-7-5-4-6-8-12/h4-11,18-19,23H,1-3H3/t18-,19-/m1/s1.
What are the key properties of (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one?
(2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one has a molecular weight of 352.39 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-5-methoxy-8,8-dimethyl-2-phenyl-2,3-dihydropyrano[2,3-h]chromen-4-one is sourced from PubChem (CID 132988935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).