2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane

C40H40O2 — CID 10392867

IUPAC2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
SMILESc1ccc(Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2cccc(COC3CCCCO3)c2)cc1
InChIInChI=1S/C40H40O2/c1-2-13-31(14-3-1)26-34-17-4-6-19-36(34)28-38-21-8-9-22-39(38)29-37-20-7-5-18-35(37)27-32-15-12-16-33(25-32)30-42-40-23-10-11-24-41-40/h1-9,12-22,25,40H,10-11,23-24,26-30H2
InChIKeyKCXDMIRZVIFURU-UHFFFAOYSA-N
MW552.76 g/mol
LogP9.09
Rot. Bonds11

About 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane

2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane (PubChem CID 10392867) has the molecular formula C40H40O2 and a molecular weight of 552.76 g/mol. Its IUPAC name is 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
PubChem CID10392867
Molecular FormulaC40H40O2
Molecular Weight552.76 g/mol
Exact Mass552.30
IUPAC Name2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
SMILESc1ccc(Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2cccc(COC3CCCCO3)c2)cc1
InChIInChI=1S/C40H40O2/c1-2-13-31(14-3-1)26-34-17-4-6-19-36(34)28-38-21-8-9-22-39(38)29-37-20-7-5-18-35(37)27-32-15-12-16-33(25-32)30-42-40-23-10-11-24-41-40/h1-9,12-22,25,40H,10-11,23-24,26-30H2
InChIKeyKCXDMIRZVIFURU-UHFFFAOYSA-N
XLogP9.09
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500552.76
LogP ≤ 59.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane with MolForge

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Related Compounds

2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10458131
1,3-bis[3-(oxan-2-yloxymethyl)phenyl]propan-2-one
CID 146792534
2-[(3-fluorophenyl)methoxy]oxane
CID 22446153
3-(oxan-2-yloxymethyl)-N-[4-[[4-[3-(oxan-2-yloxymethyl)-N-[3-(oxan-2-yloxymethyl)phenyl]anilino]phenyl]methyl]phenyl]-N-[3-(oxan-2-yloxymethyl)phenyl]aniline
CID 90246762
3-(oxan-2-yloxymethyl)benzamide
CID 139882771
2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-phenylmethoxyoxetane
CID 23030739
2-[(3-nitrophenyl)methoxy]oxane
CID 10955574
2-[2-[3-(4-phenylbutoxymethyl)phenyl]ethoxy]oxane
CID 69438064
[4-(oxan-2-yloxymethyl)phenyl]-diphenylphosphane
CID 71336769
bicyclo[2.2.1]hepta-1,3,5-triene;2-[(3-methylphenyl)methoxy]oxane
CID 174264663
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The IUPAC name of 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane (CID 10392867) is 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane.
What is the SMILES notation for 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The canonical SMILES for 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane is c1ccc(Cc2ccccc2Cc2ccccc2Cc2ccccc2Cc2cccc(COC3CCCCO3)c2)cc1.
What is the InChIKey of 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The InChIKey is KCXDMIRZVIFURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H40O2/c1-2-13-31(14-3-1)26-34-17-4-6-19-36(34)28-38-21-8-9-22-39(38)29-37-20-7-5-18-35(37)27-32-15-12-16-33(25-32)30-42-40-23-10-11-24-41-40/h1-9,12-22,25,40H,10-11,23-24,26-30H2.
What are the key properties of 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane has a molecular weight of 552.76 g/mol, XLogP of 9.09, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane is sourced from PubChem (CID 10392867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).