(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

C37H34O5 — CID 90393387

IUPAC(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2
InChIInChI=1S/C37H34O5/c1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-21,32,37-38H,22-25H2,1H3/t32-,37+/m0/s1
InChIKeyUSNXFFWZEPPCBS-NBWQQBAWSA-N
MW558.67 g/mol
LogP7.77
Rot. Bonds10

About (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol

(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (PubChem CID 90393387) has the molecular formula C37H34O5 and a molecular weight of 558.67 g/mol. Its IUPAC name is (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.

Molecular Properties

Compound Name(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
PubChem CID90393387
Molecular FormulaC37H34O5
Molecular Weight558.67 g/mol
Exact Mass558.24
IUPAC Name(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol
SMILESCc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2
InChIInChI=1S/C37H34O5/c1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-21,32,37-38H,22-25H2,1H3/t32-,37+/m0/s1
InChIKeyUSNXFFWZEPPCBS-NBWQQBAWSA-N
XLogP7.77
TPSA57.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.67
LogP ≤ 57.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(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
(2R,3R)-2-[3,4-bis(phenylmethoxy)phenyl]-5-phenylmethoxy-3,4-dihydro-2H-chromene-3,7-diol
CID 134951203
2-(4-methoxy-3-phenylmethoxyphenyl)-3,4-dihydro-2H-chromene-3,5,7-triol
CID 146393584
(2R,3R)-2-[4-[tert-butyl(dimethyl)silyl]oxy-3-phenylmethoxyphenyl]-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 102452219
(2S,3S)-2-phenyl-5,7-bis(phenylmethoxy)-3,4-dihydro-2H-chromen-3-ol
CID 67772487
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-3,5,7-tris(phenylmethoxy)-3,4-dihydro-2H-chromene
CID 11331634
5-methoxy-2-[3,4,5-tris(phenylmethoxy)phenyl]-3,4-dihydro-2H-chromene-3,7-diol
CID 146270563
benzyl [(3R)-2-[3,4-bis(phenylmethoxycarbonyloxy)phenyl]-3-hydroxy-5-phenylmethoxycarbonyloxy-3,4-dihydro-2H-chromen-7-yl] carbonate
CID 118886888
(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
[(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-bis(4-methoxy-3-phenylmethoxyphenyl)oxirane
CID 14831922

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The IUPAC name of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol (CID 90393387) is (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol.
What is the SMILES notation for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The canonical SMILES for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is Cc1cc(OCc2ccccc2)c2c(c1)O[C@H](c1ccc(OCc3ccccc3)c(OCc3ccccc3)c1)[C@@H](O)C2.
What is the InChIKey of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
The InChIKey is USNXFFWZEPPCBS-NBWQQBAWSA-N. The full InChI is InChI=1S/C37H34O5/c1-26-19-34(40-24-28-13-7-3-8-14-28)31-22-32(38)37(42-35(31)20-26)30-17-18-33(39-23-27-11-5-2-6-12-27)36(21-30)41-25-29-15-9-4-10-16-29/h2-21,32,37-38H,22-25H2,1H3/t32-,37+/m0/s1.
What are the key properties of (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol?
(2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol has a molecular weight of 558.67 g/mol, XLogP of 7.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-[3,4-bis(phenylmethoxy)phenyl]-7-methyl-5-phenylmethoxy-3,4-dihydro-2H-chromen-3-ol is sourced from PubChem (CID 90393387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).