(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one

C17H16O6 — CID 101267190

IUPAC(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
SMILESCOc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)[C@H](O)C2=O
InChIInChI=1S/C17H16O6/c1-9-12(22-2)8-11(18)13-14(19)16(20)17(21,23-15(9)13)10-6-4-3-5-7-10/h3-8,16,18,20-21H,1-2H3/t16-,17-/m1/s1
InChIKeyGKPNVIOJCBFKHF-IAGOWNOFSA-N
MW316.31 g/mol
LogP1.49
Rot. Bonds2

About (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one

(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one (PubChem CID 101267190) has the molecular formula C17H16O6 and a molecular weight of 316.31 g/mol. Its IUPAC name is (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one.

Molecular Properties

Compound Name(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
PubChem CID101267190
Molecular FormulaC17H16O6
Molecular Weight316.31 g/mol
Exact Mass316.09
IUPAC Name(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
SMILESCOc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)[C@H](O)C2=O
InChIInChI=1S/C17H16O6/c1-9-12(22-2)8-11(18)13-14(19)16(20)17(21,23-15(9)13)10-6-4-3-5-7-10/h3-8,16,18,20-21H,1-2H3/t16-,17-/m1/s1
InChIKeyGKPNVIOJCBFKHF-IAGOWNOFSA-N
XLogP1.49
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The IUPAC name of (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one (CID 101267190) is (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one.
What is the SMILES notation for (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The canonical SMILES for (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one is COc1cc(O)c2c(c1C)O[C@](O)(c1ccccc1)[C@H](O)C2=O.
What is the InChIKey of (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
The InChIKey is GKPNVIOJCBFKHF-IAGOWNOFSA-N. The full InChI is InChI=1S/C17H16O6/c1-9-12(22-2)8-11(18)13-14(19)16(20)17(21,23-15(9)13)10-6-4-3-5-7-10/h3-8,16,18,20-21H,1-2H3/t16-,17-/m1/s1.
What are the key properties of (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one?
(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one has a molecular weight of 316.31 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one is sourced from PubChem (CID 101267190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).