(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one

C19H20O6 — CID 91542886

IUPAC(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3c(C)c(OC)cc(O)c3C2=O)cc1
InChIInChI=1S/C19H20O6/c1-11-15(24-3)8-14(20)16-17(11)25-10-19(22,18(16)21)9-12-4-6-13(23-2)7-5-12/h4-8,20,22H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyFNNLDXJVFJFECE-LJQANCHMSA-N
MW344.36 g/mol
LogP2.27
Rot. Bonds4

About (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one

(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one (PubChem CID 91542886) has the molecular formula C19H20O6 and a molecular weight of 344.36 g/mol. Its IUPAC name is (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one.

Molecular Properties

Compound Name(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
PubChem CID91542886
Molecular FormulaC19H20O6
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3c(C)c(OC)cc(O)c3C2=O)cc1
InChIInChI=1S/C19H20O6/c1-11-15(24-3)8-14(20)16-17(11)25-10-19(22,18(16)21)9-12-4-6-13(23-2)7-5-12/h4-8,20,22H,9-10H2,1-3H3/t19-/m1/s1
InChIKeyFNNLDXJVFJFECE-LJQANCHMSA-N
XLogP2.27
TPSA85.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 71712960
3,5-dihydroxy-3-[(4-hydroxy-3-methoxyphenyl)methyl]-7-methoxy-2H-chromen-4-one
CID 162974811
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-5-[(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2H-chromen-4-one
CID 162969951
(3R)-3-[(3,4-dimethoxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
CID 102319604
3-[(4-methoxyphenyl)methyl]oxetan-3-ol
CID 83685421
(2S)-2,5-dihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
CID 102062188
(3S)-5,7-dihydroxy-8-methoxy-3-[(4-methoxyphenyl)methyl]-2,3-dihydrochromen-4-one
CID 163038741
(6aS,12aS)-4,11,12a-trihydroxy-9-methoxy-10-methyl-6,6a-dihydrochromeno[3,4-b]chromen-12-one
CID 162977638
(2R,3R)-2,3,5-trihydroxy-7-methoxy-8-methyl-2-phenyl-3H-chromen-4-one
CID 101267190
(3R)-5,7-dimethoxy-3-[(4-methoxyphenyl)methyl]-6,8-dimethyl-2,3-dihydrochromen-4-one
CID 102029338
3-[(4-methoxyphenyl)methyl]azetidin-3-ol
CID 83685225

Frequently Asked Questions

What is the IUPAC name of (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one?
The IUPAC name of (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one (CID 91542886) is (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one.
What is the SMILES notation for (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one?
The canonical SMILES for (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one is COc1ccc(C[C@@]2(O)COc3c(C)c(OC)cc(O)c3C2=O)cc1.
What is the InChIKey of (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one?
The InChIKey is FNNLDXJVFJFECE-LJQANCHMSA-N. The full InChI is InChI=1S/C19H20O6/c1-11-15(24-3)8-14(20)16-17(11)25-10-19(22,18(16)21)9-12-4-6-13(23-2)7-5-12/h4-8,20,22H,9-10H2,1-3H3/t19-/m1/s1.
What are the key properties of (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one?
(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one has a molecular weight of 344.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one is sourced from PubChem (CID 91542886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).