(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol

C26H28O6 — CID 102088061

IUPAC(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(c(OC)cc(OC)c3-c3ccccc3C)C[C@H]2O)cc1OC
InChIInChI=1S/C26H28O6/c1-15-8-6-7-9-17(15)24-23(31-5)14-21(29-3)18-13-19(27)25(32-26(18)24)16-10-11-20(28-2)22(12-16)30-4/h6-12,14,19,25,27H,13H2,1-5H3/t19-,25-/m1/s1
InChIKeyFXRDOPHEMXXZFD-KBMIEXCESA-N
MW436.50 g/mol
LogP4.73
Rot. Bonds6

About (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol

(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol (PubChem CID 102088061) has the molecular formula C26H28O6 and a molecular weight of 436.50 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
PubChem CID102088061
Molecular FormulaC26H28O6
Molecular Weight436.50 g/mol
Exact Mass436.19
IUPAC Name(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol
SMILESCOc1ccc([C@H]2Oc3c(c(OC)cc(OC)c3-c3ccccc3C)C[C@H]2O)cc1OC
InChIInChI=1S/C26H28O6/c1-15-8-6-7-9-17(15)24-23(31-5)14-21(29-3)18-13-19(27)25(32-26(18)24)16-10-11-20(28-2)22(12-16)30-4/h6-12,14,19,25,27H,13H2,1-5H3/t19-,25-/m1/s1
InChIKeyFXRDOPHEMXXZFD-KBMIEXCESA-N
XLogP4.73
TPSA66.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.50
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-(3,4-dimethoxyphenyl)-8-iodo-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 6708556
(3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 102352404
2-(4-hydroxyphenyl)-5,7-dimethoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 85354014
[5-[3-acetyloxy-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3,4-dihydro-2H-chromen-8-yl]-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-3-yl] acetate
CID 636315
(1R,3R,3aS,4R,6S,6aS)-1,4-bis(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3,6-diol
CID 11973047
(E)-1-[(2S,3S)-3,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-5-methoxy-3,4-dihydro-2H-chromen-8-yl]-3-phenylprop-2-en-1-one
CID 101472268
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
(2R,3S,8R,9S,10S)-10-(2,4-dimethoxyphenyl)-2,8-bis(3,4-dimethoxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-f]chromene-3,9-diol
CID 162904106
(2R,3R)-2-(4-hydroxyphenyl)-7-methoxy-8-methyl-3,4-dihydro-2H-chromen-3-ol
CID 637885
2-(2,4-dimethoxyphenyl)-4,8-bis(3,4-dimethoxyphenyl)-6-[2-(3,4-dimethoxyphenyl)-3-hydroxy-7-methoxy-3,4-dihydro-2H-chromen-4-yl]-5-methoxy-2,3,4,8,9,10-hexahydropyrano[2,3-h]chromene-3,9-diol
CID 162948976
(2S,3S)-2-(3,4-dimethoxyphenyl)-6-methoxy-3,7-dimethyl-2,3-dihydro-1-benzofuran-5-ol
CID 10544393
[2-methoxy-4-(3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl)phenyl] hydrogen sulfate
CID 71251657

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol (CID 102088061) is (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol is COc1ccc([C@H]2Oc3c(c(OC)cc(OC)c3-c3ccccc3C)C[C@H]2O)cc1OC.
What is the InChIKey of (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is FXRDOPHEMXXZFD-KBMIEXCESA-N. The full InChI is InChI=1S/C26H28O6/c1-15-8-6-7-9-17(15)24-23(31-5)14-21(29-3)18-13-19(27)25(32-26(18)24)16-10-11-20(28-2)22(12-16)30-4/h6-12,14,19,25,27H,13H2,1-5H3/t19-,25-/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol?
(2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 436.50 g/mol, XLogP of 4.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-8-(2-methylphenyl)-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 102088061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).