(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol

C18H20O6 — CID 11002087

IUPAC(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
SMILESCOc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)16-15(20)14(19)12-8-9-13(22-2)18(23-3)17(12)24-16/h4-9,14-16,19-20H,1-3H3/t14-,15-,16-/m1/s1
InChIKeyHBQZSAJEFPLCJJ-BZUAXINKSA-N
MW332.35 g/mol
LogP2.24
Rot. Bonds4

About (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol

(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol (PubChem CID 11002087) has the molecular formula C18H20O6 and a molecular weight of 332.35 g/mol. Its IUPAC name is (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
PubChem CID11002087
Molecular FormulaC18H20O6
Molecular Weight332.35 g/mol
Exact Mass332.13
IUPAC Name(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
SMILESCOc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1
InChIInChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)16-15(20)14(19)12-8-9-13(22-2)18(23-3)17(12)24-16/h4-9,14-16,19-20H,1-3H3/t14-,15-,16-/m1/s1
InChIKeyHBQZSAJEFPLCJJ-BZUAXINKSA-N
XLogP2.24
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S,4S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3,4-dihydro-2H-chromene-3,4-diol
CID 14991958
2-(4-hydroxy-3-methoxyphenyl)-4,7,8-trimethoxy-3,4-dihydro-2H-chromen-3-ol
CID 163010771
[(2R,3R,4S)-4-[[(2R,3R,4R)-3-acetyloxy-2-(3,4-dimethoxyphenyl)-7,8-dimethoxy-3,4-dihydro-2H-chromen-4-yl]oxy]-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 163011084
(2R,3S,4R)-5,7-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol
CID 14080194
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
[(2R,3S,4R)-4-benzylsulfanyl-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromen-3-yl] acetate
CID 15452493
8-ethoxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-chromene-3,4,7-triol
CID 163072662
(2R)-7,8-dimethoxy-2-(4-methoxyphenyl)-2H-chromen-3-ol
CID 101023171
3-hydroxy-6,7-dimethoxy-3H-2-benzofuran-1-one
CID 3478799
(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
3,5-dihydroxy-6,7-dimethoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
CID 14707089
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

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The IUPAC name of (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol (CID 11002087) is (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The canonical SMILES for (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol is COc1ccc([C@H]2Oc3c(ccc(OC)c3OC)[C@@H](O)[C@H]2O)cc1.
What is the InChIKey of (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
The InChIKey is HBQZSAJEFPLCJJ-BZUAXINKSA-N. The full InChI is InChI=1S/C18H20O6/c1-21-11-6-4-10(5-7-11)16-15(20)14(19)12-8-9-13(22-2)18(23-3)17(12)24-16/h4-9,14-16,19-20H,1-3H3/t14-,15-,16-/m1/s1.
What are the key properties of (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol?
(2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol has a molecular weight of 332.35 g/mol, XLogP of 2.24, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-7,8-dimethoxy-2-(4-methoxyphenyl)-3,4-dihydro-2H-chromene-3,4-diol is sourced from PubChem (CID 11002087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).