1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene

C58H62O6 — CID 59710807

IUPAC1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
SMILESCCc1cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C58H62O6/c1-10-46-23-53(63-36-51-25-55(59-32-47-15-38(2)11-39(3)16-47)30-56(26-51)60-33-48-17-40(4)12-41(5)18-48)29-54(24-46)64-37-52-27-57(61-34-49-19-42(6)13-43(7)20-49)31-58(28-52)62-35-50-21-44(8)14-45(9)22-50/h11-31H,10,32-37H2,1-9H3
InChIKeyIKUBIRORGAIXRK-UHFFFAOYSA-N
MW855.13 g/mol
LogP14.19
Rot. Bonds19

About 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene

1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene (PubChem CID 59710807) has the molecular formula C58H62O6 and a molecular weight of 855.13 g/mol. Its IUPAC name is 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene.

Molecular Properties

Compound Name1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
PubChem CID59710807
Molecular FormulaC58H62O6
Molecular Weight855.13 g/mol
Exact Mass854.45
IUPAC Name1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene
SMILESCCc1cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)c1
InChIInChI=1S/C58H62O6/c1-10-46-23-53(63-36-51-25-55(59-32-47-15-38(2)11-39(3)16-47)30-56(26-51)60-33-48-17-40(4)12-41(5)18-48)29-54(24-46)64-37-52-27-57(61-34-49-19-42(6)13-43(7)20-49)31-58(28-52)62-35-50-21-44(8)14-45(9)22-50/h11-31H,10,32-37H2,1-9H3
InChIKeyIKUBIRORGAIXRK-UHFFFAOYSA-N
XLogP14.19
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500855.13
LogP ≤ 514.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
1,3-dimethyl-5-(phenoxymethyl)benzene
CID 20649368
5-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[[3-[[3-[(3,5-dihydroxyphenyl)methoxy]-5-[(3-hydroxy-5-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-methylphenoxy)methyl]phenoxy]methyl]phenoxy]methyl]benzene-1,3-diol
CID 58912218
1-[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-3-[[3-[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]-5-[[3-[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-[(3-methyl-5-phenylmethoxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]-5-(bromomethyl)benzene
CID 58661558
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-[(4-iodophenoxy)methyl]-3,5-dimethylbenzene
CID 60644543
3-[(3,5-dimethylphenoxy)methyl]-5-methoxyphenol
CID 70951574
1,3-bis[[3,4-bis[(4-methylphenyl)methoxy]phenyl]methoxy]-5-[(4-ethylphenoxy)methyl]benzene
CID 58627170
1,3-bis[(3,5-diphenoxyphenyl)methoxy]-5-methylbenzene;carbanide;tungsten
CID 158286848
3-[(3,5-dimethylphenyl)methoxy]aniline
CID 54909105
5-[[3-[[3-[[3,5-bis[[3,5-bis[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenyl]methoxy]phenoxy]methyl]-5-[[3,5-bis[(3,5-dihydroxyphenyl)methoxy]phenyl]methoxy]phenoxy]methyl]-5-[(3,5-dihydroxyphenyl)methoxy]phenoxy]methyl]benzene-1,3-diol
CID 58912216
2-bromo-6-[(3,5-dimethylphenyl)methoxy]naphthalene
CID 60624731

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene?
The IUPAC name of 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene (CID 59710807) is 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene.
What is the SMILES notation for 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene?
The canonical SMILES for 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene is CCc1cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)cc(OCc2cc(OCc3cc(C)cc(C)c3)cc(OCc3cc(C)cc(C)c3)c2)c1.
What is the InChIKey of 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene?
The InChIKey is IKUBIRORGAIXRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C58H62O6/c1-10-46-23-53(63-36-51-25-55(59-32-47-15-38(2)11-39(3)16-47)30-56(26-51)60-33-48-17-40(4)12-41(5)18-48)29-54(24-46)64-37-52-27-57(61-34-49-19-42(6)13-43(7)20-49)31-58(28-52)62-35-50-21-44(8)14-45(9)22-50/h11-31H,10,32-37H2,1-9H3.
What are the key properties of 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene?
1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene has a molecular weight of 855.13 g/mol, XLogP of 14.19, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[[3,5-bis[(3,5-dimethylphenyl)methoxy]phenyl]methoxy]-5-ethylphenoxy]methyl]-3,5-bis[(3,5-dimethylphenyl)methoxy]benzene is sourced from PubChem (CID 59710807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).