1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene

C55H40Cl8O7 — CID 132525104

IUPAC1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
SMILESClc1cc(Cl)cc(OCc2cc(COc3cc(Cl)cc(Cl)c3)cc(OCc3cc(COc4cc(COc5cc(Cl)cc(Cl)c5)cc(COc5cc(Cl)cc(Cl)c5)c4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C55H40Cl8O7/c56-41-15-42(57)20-52(19-41)67-30-37-7-38(31-68-53-21-43(58)16-44(59)22-53)12-50(11-37)65-28-35-6-36(10-49(9-35)64-27-34-4-2-1-3-5-34)29-66-51-13-39(32-69-54-23-45(60)17-46(61)24-54)8-40(14-51)33-70-55-25-47(62)18-48(63)26-55/h1-26H,27-33H2
InChIKeyTYXACOOYOYXRSW-UHFFFAOYSA-N
MW1096.54 g/mol
LogP17.97
Rot. Bonds21

About 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene

1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene (PubChem CID 132525104) has the molecular formula C55H40Cl8O7 and a molecular weight of 1096.54 g/mol. Its IUPAC name is 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene.

Molecular Properties

Compound Name1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
PubChem CID132525104
Molecular FormulaC55H40Cl8O7
Molecular Weight1096.54 g/mol
Exact Mass1092.03
IUPAC Name1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene
SMILESClc1cc(Cl)cc(OCc2cc(COc3cc(Cl)cc(Cl)c3)cc(OCc3cc(COc4cc(COc5cc(Cl)cc(Cl)c5)cc(COc5cc(Cl)cc(Cl)c5)c4)cc(OCc4ccccc4)c3)c2)c1
InChIInChI=1S/C55H40Cl8O7/c56-41-15-42(57)20-52(19-41)67-30-37-7-38(31-68-53-21-43(58)16-44(59)22-53)12-50(11-37)65-28-35-6-36(10-49(9-35)64-27-34-4-2-1-3-5-34)29-66-51-13-39(32-69-54-23-45(60)17-46(61)24-54)8-40(14-51)33-70-55-25-47(62)18-48(63)26-55/h1-26H,27-33H2
InChIKeyTYXACOOYOYXRSW-UHFFFAOYSA-N
XLogP17.97
TPSA64.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds21
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001096.54
LogP ≤ 517.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methanol
CID 15385707
1,3-bis[[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methoxy]-5-methylbenzene
CID 102395902
[3,5-bis[[3,5-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]phenyl]methoxy]phenyl]methanamine
CID 101273679
1-bromo-3-chloro-5-(phenoxymethyl)benzene
CID 141438053
methyl 3-chloro-5-phenylmethoxybenzoate
CID 70086004
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
N-(3,5-dichlorophenyl)-2-(4-phenylmethoxyphenoxy)acetamide
CID 7926056
1-(chloromethyl)-3-phenylmethoxybenzene
CID 13173490
1,4-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-2,5-diiodobenzene
CID 101408465
1,3-bis[[3,5-bis(phenylmethoxy)phenyl]methoxy]-5-(2-methylpropyl)benzene
CID 59422757
1-iodo-3,5-bis(phenylmethoxy)benzene
CID 15389195
1-benzyl-4-[(4-chlorophenyl)methoxy]benzene
CID 54328540

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene?
The IUPAC name of 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene (CID 132525104) is 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene.
What is the SMILES notation for 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene?
The canonical SMILES for 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene is Clc1cc(Cl)cc(OCc2cc(COc3cc(Cl)cc(Cl)c3)cc(OCc3cc(COc4cc(COc5cc(Cl)cc(Cl)c5)cc(COc5cc(Cl)cc(Cl)c5)c4)cc(OCc4ccccc4)c3)c2)c1.
What is the InChIKey of 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene?
The InChIKey is TYXACOOYOYXRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C55H40Cl8O7/c56-41-15-42(57)20-52(19-41)67-30-37-7-38(31-68-53-21-43(58)16-44(59)22-53)12-50(11-37)65-28-35-6-36(10-49(9-35)64-27-34-4-2-1-3-5-34)29-66-51-13-39(32-69-54-23-45(60)17-46(61)24-54)8-40(14-51)33-70-55-25-47(62)18-48(63)26-55/h1-26H,27-33H2.
What are the key properties of 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene?
1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene has a molecular weight of 1096.54 g/mol, XLogP of 17.97, 21 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[3,5-bis[(3,5-dichlorophenoxy)methyl]phenoxy]methyl]-5-phenylmethoxybenzene is sourced from PubChem (CID 132525104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).