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

C50H44O6 — CID 11331634

IUPAC(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1
InChIInChI=1S/C50H44O6/c1-6-16-37(17-7-1)32-51-43-29-46(53-34-39-20-10-3-11-21-39)44-31-49(55-36-41-24-14-5-15-25-41)50(56-47(44)30-43)42-26-27-45(52-33-38-18-8-2-9-19-38)48(28-42)54-35-40-22-12-4-13-23-40/h1-30,49-50H,31-36H2/t49-,50+/m0/s1
InChIKeyZQXZWSRJQYKNEG-LOYCUKJKSA-N
MW740.90 g/mol
LogP11.26
Rot. Bonds16

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

(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene (PubChem CID 11331634) has the molecular formula C50H44O6 and a molecular weight of 740.90 g/mol. Its IUPAC name is (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene.

Molecular Properties

Compound Name(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
PubChem CID11331634
Molecular FormulaC50H44O6
Molecular Weight740.90 g/mol
Exact Mass740.31
IUPAC Name(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
SMILESc1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1
InChIInChI=1S/C50H44O6/c1-6-16-37(17-7-1)32-51-43-29-46(53-34-39-20-10-3-11-21-39)44-31-49(55-36-41-24-14-5-15-25-41)50(56-47(44)30-43)42-26-27-45(52-33-38-18-8-2-9-19-38)48(28-42)54-35-40-22-12-4-13-23-40/h1-30,49-50H,31-36H2/t49-,50+/m0/s1
InChIKeyZQXZWSRJQYKNEG-LOYCUKJKSA-N
XLogP11.26
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms56
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500740.90
LogP ≤ 511.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(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
(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
[(3S)-2-[3,4-bis(phenylmethoxy)phenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-yl] diethyl phosphate
CID 70518950
[(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
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
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
(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,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-2,3-dihydrochromen-4-one
CID 11377688
[(2R,3S)-5,7-bis(phenylmethoxy)-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromen-3-yl] 3,5-bis(phenylmethoxy)benzoate
CID 87678495
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
CID 90393387
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,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?
The IUPAC name of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene (CID 11331634) is (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene.
What is the SMILES notation for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?
The canonical SMILES for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene is c1ccc(COc2cc(OCc3ccccc3)c3c(c2)O[C@H](c2ccc(OCc4ccccc4)c(OCc4ccccc4)c2)[C@@H](OCc2ccccc2)C3)cc1.
What is the InChIKey of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?
The InChIKey is ZQXZWSRJQYKNEG-LOYCUKJKSA-N. The full InChI is InChI=1S/C50H44O6/c1-6-16-37(17-7-1)32-51-43-29-46(53-34-39-20-10-3-11-21-39)44-31-49(55-36-41-24-14-5-15-25-41)50(56-47(44)30-43)42-26-27-45(52-33-38-18-8-2-9-19-38)48(28-42)54-35-40-22-12-4-13-23-40/h1-30,49-50H,31-36H2/t49-,50+/m0/s1.
What are the key properties of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene?
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene has a molecular weight of 740.90 g/mol, XLogP of 11.26, 16 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene is sourced from PubChem (CID 11331634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).