1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene

C52H50O6 — CID 59422757

IUPAC1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
SMILESCC(C)Cc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C52H50O6/c1-39(2)23-44-24-47(57-37-45-26-49(53-33-40-15-7-3-8-16-40)31-50(27-45)54-34-41-17-9-4-10-18-41)30-48(25-44)58-38-46-28-51(55-35-42-19-11-5-12-20-42)32-52(29-46)56-36-43-21-13-6-14-22-43/h3-22,24-32,39H,23,33-38H2,1-2H3
InChIKeyFVYMQJYVUQJXKZ-UHFFFAOYSA-N
MW770.97 g/mol
LogP12.36
Rot. Bonds20

About 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene

1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene (PubChem CID 59422757) has the molecular formula C52H50O6 and a molecular weight of 770.97 g/mol. Its IUPAC name is 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene.

Molecular Properties

Compound Name1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
PubChem CID59422757
Molecular FormulaC52H50O6
Molecular Weight770.97 g/mol
Exact Mass770.36
IUPAC Name1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
SMILESCC(C)Cc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1
InChIInChI=1S/C52H50O6/c1-39(2)23-44-24-47(57-37-45-26-49(53-33-40-15-7-3-8-16-40)31-50(27-45)54-34-41-17-9-4-10-18-41)30-48(25-44)58-38-46-28-51(55-35-42-19-11-5-12-20-42)32-52(29-46)56-36-43-21-13-6-14-22-43/h3-22,24-32,39H,23,33-38H2,1-2H3
InChIKeyFVYMQJYVUQJXKZ-UHFFFAOYSA-N
XLogP12.36
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms58
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500770.97
LogP ≤ 512.36
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-dibromo-5-(2-methylpropyl)-2-phenylmethoxybenzene
CID 164892875
[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
(2R)-1-[3,5-bis(phenylmethoxy)phenyl]heptan-2-ol
CID 10982342
1,3-bis(2-methoxyethoxy)-5-[[3-[[3-(2-methoxyethoxy)-5-(methoxymethoxy)phenyl]methoxy]-5-(2-methylpropyl)phenoxy]methyl]benzene
CID 134166680
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
4-butan-2-ylphenol;1-[(4-butan-2-ylphenoxy)methyl]-3,5-bis(phenylmethoxy)benzene
CID 158085246
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-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
CID 132525104
3-[[3-[[3-[[3-(hydroxymethyl)-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenoxy]methyl]-5-phenylmethoxyphenol
CID 101175071

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene?
The IUPAC name of 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene (CID 59422757) is 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene.
What is the SMILES notation for 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene?
The canonical SMILES for 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene is CC(C)Cc1cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)cc(OCc2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)c1.
What is the InChIKey of 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene?
The InChIKey is FVYMQJYVUQJXKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H50O6/c1-39(2)23-44-24-47(57-37-45-26-49(53-33-40-15-7-3-8-16-40)31-50(27-45)54-34-41-17-9-4-10-18-41)30-48(25-44)58-38-46-28-51(55-35-42-19-11-5-12-20-42)32-52(29-46)56-36-43-21-13-6-14-22-43/h3-22,24-32,39H,23,33-38H2,1-2H3.
What are the key properties of 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene?
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene has a molecular weight of 770.97 g/mol, XLogP of 12.36, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene is sourced from PubChem (CID 59422757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).