(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol

C36H32O6 — CID 134951203

IUPAC(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
SMILESOc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@H](O)C2
InChIInChI=1S/C36H32O6/c37-29-19-33(40-23-26-12-6-2-7-13-26)30-21-31(38)36(42-34(30)20-29)28-16-17-32(39-22-25-10-4-1-5-11-25)35(18-28)41-24-27-14-8-3-9-15-27/h1-20,31,36-38H,21-24H2/t31-,36-/m1/s1
InChIKeyLBNIDJYMPBGUPJ-RRTCDKLQSA-N
MW560.65 g/mol
LogP7.17
Rot. Bonds10

About (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol

(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol (PubChem CID 134951203) has the molecular formula C36H32O6 and a molecular weight of 560.65 g/mol. Its IUPAC name is (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol.

Molecular Properties

Compound Name(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
PubChem CID134951203
Molecular FormulaC36H32O6
Molecular Weight560.65 g/mol
Exact Mass560.22
IUPAC Name(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
SMILESOc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@H](O)C2
InChIInChI=1S/C36H32O6/c37-29-19-33(40-23-26-12-6-2-7-13-26)30-21-31(38)36(42-34(30)20-29)28-16-17-32(39-22-25-10-4-1-5-11-25)35(18-28)41-24-27-14-8-3-9-15-27/h1-20,31,36-38H,21-24H2/t31-,36-/m1/s1
InChIKeyLBNIDJYMPBGUPJ-RRTCDKLQSA-N
XLogP7.17
TPSA77.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500560.65
LogP ≤ 57.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-3,5-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 159881200
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
CID 146270563
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
(2R,3S)-8-[(2R,3S,4R)-2-[3,4-bis(phenylmethoxy)phenyl]-3-hydroxy-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-4-yl]-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-ol
CID 46242655
benzyl [(3R)-2-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]-3-hydroxy-5-phenylmethoxycarbonyloxy-3,4-dihydro-2H-chromen-7-yl] carbonate
CID 118886888
[(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trimethoxybenzoate
CID 24827283
[(3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] diethyl phosphate
CID 70518950
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
CID 14275083

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol?
The IUPAC name of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol (CID 134951203) is (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol.
What is the SMILES notation for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol?
The canonical SMILES for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol is Oc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@H](O)C2.
What is the InChIKey of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol?
The InChIKey is LBNIDJYMPBGUPJ-RRTCDKLQSA-N. The full InChI is InChI=1S/C36H32O6/c37-29-19-33(40-23-26-12-6-2-7-13-26)30-21-31(38)36(42-34(30)20-29)28-16-17-32(39-22-25-10-4-1-5-11-25)35(18-28)41-24-27-14-8-3-9-15-27/h1-20,31,36-38H,21-24H2/t31-,36-/m1/s1.
What are the key properties of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol?
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol has a molecular weight of 560.65 g/mol, XLogP of 7.17, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol is sourced from PubChem (CID 134951203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).