(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one

C20H22O7 — CID 71712960

IUPAC(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3cc(OC)c(OC)c(OC)c3C2=O)cc1
InChIInChI=1S/C20H22O7/c1-23-13-7-5-12(6-8-13)10-20(22)11-27-14-9-15(24-2)17(25-3)18(26-4)16(14)19(20)21/h5-9,22H,10-11H2,1-4H3/t20-/m1/s1
InChIKeyXPJYOBQMHUPHPG-HXUWFJFHSA-N
MW374.39 g/mol
LogP2.27
Rot. Bonds6

About (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one

(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one (PubChem CID 71712960) has the molecular formula C20H22O7 and a molecular weight of 374.39 g/mol. Its IUPAC name is (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one.

Molecular Properties

Compound Name(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
PubChem CID71712960
Molecular FormulaC20H22O7
Molecular Weight374.39 g/mol
Exact Mass374.14
IUPAC Name(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
SMILESCOc1ccc(C[C@@]2(O)COc3cc(OC)c(OC)c(OC)c3C2=O)cc1
InChIInChI=1S/C20H22O7/c1-23-13-7-5-12(6-8-13)10-20(22)11-27-14-9-15(24-2)17(25-3)18(26-4)16(14)19(20)21/h5-9,22H,10-11H2,1-4H3/t20-/m1/s1
InChIKeyXPJYOBQMHUPHPG-HXUWFJFHSA-N
XLogP2.27
TPSA83.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.39
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-hydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one
CID 163068081
(3R)-3,5-dihydroxy-7-methoxy-3-[(4-methoxyphenyl)methyl]-8-methyl-2H-chromen-4-one
CID 91542886
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]-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
5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromene
CID 132501325
2',3',5,7-tetramethoxyspiro[2H-chromene-3,8'-bicyclo[4.2.0]octa-1(6),2,4-triene]-4-one
CID 162922972
(3S)-3-[(4-methoxyphenyl)methyl]-3-methyl-2H-1-benzofuran
CID 122398318
N-[2-methoxy-5-[(5,6,7-trimethoxy-4-oxo-2,3-dihydrochromen-3-yl)methyl]phenyl]pentanamide
CID 155755630
2-benzyl-2-hydroxy-5,7-dimethoxy-3H-chromen-4-one
CID 10914018
3-[(4-hydroxy-3-methoxyphenyl)methyl]-5,7-dimethoxy-2,3-dihydrochromen-4-one
CID 142744862

Frequently Asked Questions

What is the IUPAC name of (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The IUPAC name of (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one (CID 71712960) is (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one.
What is the SMILES notation for (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The canonical SMILES for (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one is COc1ccc(C[C@@]2(O)COc3cc(OC)c(OC)c(OC)c3C2=O)cc1.
What is the InChIKey of (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
The InChIKey is XPJYOBQMHUPHPG-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H22O7/c1-23-13-7-5-12(6-8-13)10-20(22)11-27-14-9-15(24-2)17(25-3)18(26-4)16(14)19(20)21/h5-9,22H,10-11H2,1-4H3/t20-/m1/s1.
What are the key properties of (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one?
(3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one has a molecular weight of 374.39 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-hydroxy-5,6,7-trimethoxy-3-[(4-methoxyphenyl)methyl]-2H-chromen-4-one is sourced from PubChem (CID 71712960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).