(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one

C50H42O7 — CID 11377688

IUPAC(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1OCc1ccccc1
InChIInChI=1S/C50H42O7/c51-48-47-45(55-34-39-22-12-4-13-23-39)29-42(52-31-36-16-6-1-7-17-36)30-46(47)57-49(50(48)56-35-40-24-14-5-15-25-40)41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38/h1-30,49-50H,31-35H2/t49-,50+/m1/s1
InChIKeyHDERHRIWUDGNGS-DJBVYZKNSA-N
MW754.88 g/mol
LogP10.90
Rot. Bonds16

About (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one

(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one (PubChem CID 11377688) has the molecular formula C50H42O7 and a molecular weight of 754.88 g/mol. Its IUPAC name is (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one.

Molecular Properties

Compound Name(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
PubChem CID11377688
Molecular FormulaC50H42O7
Molecular Weight754.88 g/mol
Exact Mass754.29
IUPAC Name(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
SMILESO=C1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1OCc1ccccc1
InChIInChI=1S/C50H42O7/c51-48-47-45(55-34-39-22-12-4-13-23-39)29-42(52-31-36-16-6-1-7-17-36)30-46(47)57-49(50(48)56-35-40-24-14-5-15-25-40)41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38/h1-30,49-50H,31-35H2/t49-,50+/m1/s1
InChIKeyHDERHRIWUDGNGS-DJBVYZKNSA-N
XLogP10.90
TPSA72.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds16
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.88
LogP ≤ 510.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene-3,4-diol
CID 14275083
(2R,3S,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-[(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromen-8-yl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 102464492
[(3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] diethyl phosphate
CID 70518950
[(2R,3R,4S)-2-[3,4-bis(phenylmethoxy)phenyl]-4-(2-ethoxyethoxy)-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] 3,4,5-tris(phenylmethoxy)benzoate
CID 164670475
2-[3-methyl-4,5-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-2,3-dihydrochromen-4-one
CID 58757511
2-[[5-[3,4-bis(phenylmethoxy)phenyl]-2-ethoxy-1,3-dioxolan-4-yl]methyl]-3,5-bis(phenylmethoxy)phenol
CID 59203452
pentasodium;[(2S)-2-(3,4-disulfonatooxyphenyl)-4-oxo-3,5-disulfonatooxy-2,3-dihydrochromen-7-yl] sulfate
CID 102476168
[(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
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromene;1-cyclobutylpropan-1-one
CID 143387100
1-[[(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl]oxy]ethyl propanimidate
CID 163867461

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one?
The IUPAC name of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one (CID 11377688) is (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one.
What is the SMILES notation for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one?
The canonical SMILES for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one is O=C1c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2O[C@H](c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)[C@H]1OCc1ccccc1.
What is the InChIKey of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one?
The InChIKey is HDERHRIWUDGNGS-DJBVYZKNSA-N. The full InChI is InChI=1S/C50H42O7/c51-48-47-45(55-34-39-22-12-4-13-23-39)29-42(52-31-36-16-6-1-7-17-36)30-46(47)57-49(50(48)56-35-40-24-14-5-15-25-40)41-26-27-43(53-32-37-18-8-2-9-19-37)44(28-41)54-33-38-20-10-3-11-21-38/h1-30,49-50H,31-35H2/t49-,50+/m1/s1.
What are the key properties of (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one?
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one has a molecular weight of 754.88 g/mol, XLogP of 10.90, 16 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one is sourced from PubChem (CID 11377688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).