4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane

C57H58O11 — CID 88579684

IUPAC4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane
SMILESCOc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(C4CCOCC4)c3)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C57H58O11/c1-58-48-13-5-40(6-14-48)34-63-52-25-44(26-53(31-52)64-35-41-7-15-49(59-2)16-8-41)38-67-56-29-47(46-21-23-62-24-22-46)30-57(33-56)68-39-45-27-54(65-36-42-9-17-50(60-3)18-10-42)32-55(28-45)66-37-43-11-19-51(61-4)20-12-43/h5-20,25-33,46H,21-24,34-39H2,1-4H3
InChIKeyUBSHFMXETNUCDJ-UHFFFAOYSA-N
MW919.08 g/mol
LogP12.09
Rot. Bonds23

About 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane

4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane (PubChem CID 88579684) has the molecular formula C57H58O11 and a molecular weight of 919.08 g/mol. Its IUPAC name is 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane.

Molecular Properties

Compound Name4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane
PubChem CID88579684
Molecular FormulaC57H58O11
Molecular Weight919.08 g/mol
Exact Mass918.40
IUPAC Name4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane
SMILESCOc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(C4CCOCC4)c3)cc(OCc3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C57H58O11/c1-58-48-13-5-40(6-14-48)34-63-52-25-44(26-53(31-52)64-35-41-7-15-49(59-2)16-8-41)38-67-56-29-47(46-21-23-62-24-22-46)30-57(33-56)68-39-45-27-54(65-36-42-9-17-50(60-3)18-10-42)32-55(28-45)66-37-43-11-19-51(61-4)20-12-43/h5-20,25-33,46H,21-24,34-39H2,1-4H3
InChIKeyUBSHFMXETNUCDJ-UHFFFAOYSA-N
XLogP12.09
TPSA101.53 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds23
Heavy Atoms68
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500919.08
LogP ≤ 512.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane with MolForge

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Related Compounds

cis-Miyabenol C
CID 5388319
4,4'''-Bis((2-butyloctyl)oxy)-1,1':4',1'':4'',1'''-quaterphenyl
CID 86734
Kobophenol A
CID 484758
Miyabenol C, trans-
CID 6475924
Miyabenol A
CID 16129868
Triphendiol
CID 25022868
Cochinchinenene B
CID 23655936
(2S,3R,4R,5S)-2,5-bis[4-[(1R,2R)-1-(3,4-dimethoxyphenyl)-1-methoxypropan-2-yl]oxy-3-methoxyphenyl]-3,4-dimethyloxolane
CID 117855105
(6S,6aR,7S,12aR)-1,3,4,8,10,11-Hexamethoxy-6-phenyl-7-[(1E)-2-phenylethenyl]-6a,12a-dihydro-6H,7H-[1]benzopyrano[4,3-b][1]benzopyran
CID 23583983
Marchantin A Trimethyl Ether
CID 10457959
Duartin, dimethyl ether
CID 6708574
Gnetin H
CID 9852931

Frequently Asked Questions

What is the IUPAC name of 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane?
The IUPAC name of 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane (CID 88579684) is 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane.
What is the SMILES notation for 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane?
The canonical SMILES for 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane is COc1ccc(COc2cc(COc3cc(OCc4cc(OCc5ccc(OC)cc5)cc(OCc5ccc(OC)cc5)c4)cc(C4CCOCC4)c3)cc(OCc3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane?
The InChIKey is UBSHFMXETNUCDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C57H58O11/c1-58-48-13-5-40(6-14-48)34-63-52-25-44(26-53(31-52)64-35-41-7-15-49(59-2)16-8-41)38-67-56-29-47(46-21-23-62-24-22-46)30-57(33-56)68-39-45-27-54(65-36-42-9-17-50(60-3)18-10-42)32-55(28-45)66-37-43-11-19-51(61-4)20-12-43/h5-20,25-33,46H,21-24,34-39H2,1-4H3.
What are the key properties of 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane?
4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane has a molecular weight of 919.08 g/mol, XLogP of 12.09, 23 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,5-bis[[3,5-bis[(4-methoxyphenyl)methoxy]phenyl]methoxy]phenyl]oxane is sourced from PubChem (CID 88579684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).