(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane

C32H32O5 — CID 139093397

IUPAC(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccccc3OC)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C32H32O5/c1-33-23-17-13-21(14-18-23)31-29(25-9-5-7-11-27(25)35-3)30(26-10-6-8-12-28(26)36-4)32(37-31)22-15-19-24(34-2)20-16-22/h5-20,29-32H,1-4H3/t29-,30-,31+,32+/m0/s1
InChIKeyARYGEZGCMGEJJL-GASGPIRDSA-N
MW496.60 g/mol
LogP7.10
Rot. Bonds8

About (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane

(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane (PubChem CID 139093397) has the molecular formula C32H32O5 and a molecular weight of 496.60 g/mol. Its IUPAC name is (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane.

Molecular Properties

Compound Name(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
PubChem CID139093397
Molecular FormulaC32H32O5
Molecular Weight496.60 g/mol
Exact Mass496.22
IUPAC Name(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane
SMILESCOc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccccc3OC)[C@@H]2c2ccccc2OC)cc1
InChIInChI=1S/C32H32O5/c1-33-23-17-13-21(14-18-23)31-29(25-9-5-7-11-27(25)35-3)30(26-10-6-8-12-28(26)36-4)32(37-31)22-15-19-24(34-2)20-16-22/h5-20,29-32H,1-4H3/t29-,30-,31+,32+/m0/s1
InChIKeyARYGEZGCMGEJJL-GASGPIRDSA-N
XLogP7.10
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500496.60
LogP ≤ 57.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2R,3R)-2-(2-methoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 11817711
2-(2,3-dimethoxyphenyl)-3-(4-methoxyphenyl)oxirane
CID 101113332
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
(3R,4S)-4-bromo-8-methoxy-3-(4-methoxyphenyl)-3,4-dihydroisochromen-1-one
CID 10248122
(2R)-2-(2-methoxyphenyl)oxirane
CID 27776035
1-[(1S,2R,3R,4S)-2,3-dimethyl-4-phenylcyclobutyl]-4-methoxybenzene
CID 134955785
(2S,3R)-2-ethynyl-3-(4-methoxyphenyl)oxirane
CID 135891777
6-(2-methoxyphenyl)-3-azabicyclo[3.1.0]hexane
CID 83817894
3-(4-methoxyphenyl)-3H-2-benzofuran-1-one
CID 10955671
[(2S,3R)-3-(4-methoxyphenyl)oxiran-2-yl]-phenylmethanone
CID 765186
(2R,4R,5S,6R)-4-(4-methoxyphenyl)-2,5,6-trimethyl-1,3-dioxane
CID 13085354

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The IUPAC name of (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane (CID 139093397) is (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane.
What is the SMILES notation for (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The canonical SMILES for (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane is COc1ccc([C@H]2O[C@H](c3ccc(OC)cc3)[C@@H](c3ccccc3OC)[C@@H]2c2ccccc2OC)cc1.
What is the InChIKey of (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane?
The InChIKey is ARYGEZGCMGEJJL-GASGPIRDSA-N. The full InChI is InChI=1S/C32H32O5/c1-33-23-17-13-21(14-18-23)31-29(25-9-5-7-11-27(25)35-3)30(26-10-6-8-12-28(26)36-4)32(37-31)22-15-19-24(34-2)20-16-22/h5-20,29-32H,1-4H3/t29-,30-,31+,32+/m0/s1.
What are the key properties of (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane?
(2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane has a molecular weight of 496.60 g/mol, XLogP of 7.10, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4R,5S)-3,4-bis(2-methoxyphenyl)-2,5-bis(4-methoxyphenyl)oxolane is sourced from PubChem (CID 139093397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).