2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan

C46H46O7S — CID 102045264

IUPAC2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan
SMILESCc1ccc(OC[C@H]2O[C@@H](c3ccc(-c4ccc([C@H]5C[C@H](Oc6ccc(C)cc6)[C@@H](COc6ccc(C)cc6)O5)s4)o3)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C46H46O7S/c1-29-5-13-33(14-6-29)47-27-43-40(49-35-17-9-31(3)10-18-35)25-39(52-43)37-21-22-38(51-37)45-23-24-46(54-45)42-26-41(50-36-19-11-32(4)12-20-36)44(53-42)28-48-34-15-7-30(2)8-16-34/h5-24,39-44H,25-28H2,1-4H3/t39-,40+,41+,42-,43-,44-/m1/s1
InChIKeyMGEGLXBGDUBBCO-MXOMBLRVSA-N
MW742.93 g/mol
LogP10.95
Rot. Bonds13

About 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan

2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan (PubChem CID 102045264) has the molecular formula C46H46O7S and a molecular weight of 742.93 g/mol. Its IUPAC name is 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan.

Molecular Properties

Compound Name2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan
PubChem CID102045264
Molecular FormulaC46H46O7S
Molecular Weight742.93 g/mol
Exact Mass742.30
IUPAC Name2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan
SMILESCc1ccc(OC[C@H]2O[C@@H](c3ccc(-c4ccc([C@H]5C[C@H](Oc6ccc(C)cc6)[C@@H](COc6ccc(C)cc6)O5)s4)o3)C[C@@H]2Oc2ccc(C)cc2)cc1
InChIInChI=1S/C46H46O7S/c1-29-5-13-33(14-6-29)47-27-43-40(49-35-17-9-31(3)10-18-35)25-39(52-43)37-21-22-38(51-37)45-23-24-46(54-45)42-26-41(50-36-19-11-32(4)12-20-36)44(53-42)28-48-34-15-7-30(2)8-16-34/h5-24,39-44H,25-28H2,1-4H3/t39-,40+,41+,42-,43-,44-/m1/s1
InChIKeyMGEGLXBGDUBBCO-MXOMBLRVSA-N
XLogP10.95
TPSA68.52 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms54
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500742.93
LogP ≤ 510.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan with MolForge

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Launch Full Analysis

Related Compounds

1-[2-acetyl-5-[(4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroinden-2-yl]ethanone
CID 102187369
(5Z)-5-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methylidene]furan-2-one
CID 102411756
ethyl 2-acetyl-5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-1,3-dihydroindene-2-carboxylate
CID 102187373
1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazole-4-carboxylic acid
CID 102467056
5-methyl-1-[[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]methyl]pyrimidine-2,4-dione
CID 10741582
1-[1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazol-4-yl]hexan-1-ol
CID 102467054
4-methoxy-1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]pyrazolo[5,4-d]pyrimidine
CID 14410737
7-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-4-methylsulfanylpyrrolo[2,3-d]pyrimidine
CID 23278082
1-methyl-4-[(4-methylphenoxy)methyl]piperidine
CID 123249578
5-benzylsulfanyl-3-methyl-4-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]imidazo[4,5-d][1,2]thiazole
CID 10745393
4-chloro-7-[[1-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]triazol-4-yl]methyl]pyrrolo[2,3-d]pyrimidine
CID 44579214
2-[(4-methylphenoxy)methyl]oxirane;propane
CID 90972730

Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan?
The IUPAC name of 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan (CID 102045264) is 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan.
What is the SMILES notation for 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan?
The canonical SMILES for 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan is Cc1ccc(OC[C@H]2O[C@@H](c3ccc(-c4ccc([C@H]5C[C@H](Oc6ccc(C)cc6)[C@@H](COc6ccc(C)cc6)O5)s4)o3)C[C@@H]2Oc2ccc(C)cc2)cc1.
What is the InChIKey of 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan?
The InChIKey is MGEGLXBGDUBBCO-MXOMBLRVSA-N. The full InChI is InChI=1S/C46H46O7S/c1-29-5-13-33(14-6-29)47-27-43-40(49-35-17-9-31(3)10-18-35)25-39(52-43)37-21-22-38(51-37)45-23-24-46(54-45)42-26-41(50-36-19-11-32(4)12-20-36)44(53-42)28-48-34-15-7-30(2)8-16-34/h5-24,39-44H,25-28H2,1-4H3/t39-,40+,41+,42-,43-,44-/m1/s1.
What are the key properties of 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan?
2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan has a molecular weight of 742.93 g/mol, XLogP of 10.95, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]-5-[5-[(2R,4S,5R)-4-(4-methylphenoxy)-5-[(4-methylphenoxy)methyl]oxolan-2-yl]thiophen-2-yl]furan is sourced from PubChem (CID 102045264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).