2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane

C32H38O4 — CID 10458131

IUPAC2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
SMILESc1ccc(Cc2ccccc2Cc2ccccc2COC2CCCCO2)c(COC2CCCCO2)c1
InChIInChI=1S/C32H38O4/c1-2-12-26(22-28-14-4-6-16-30(28)24-36-32-18-8-10-20-34-32)25(11-1)21-27-13-3-5-15-29(27)23-35-31-17-7-9-19-33-31/h1-6,11-16,31-32H,7-10,17-24H2
InChIKeyCYMUHRLFWUHWPC-UHFFFAOYSA-N
MW486.65 g/mol
LogP6.95
Rot. Bonds10

About 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane

2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane (PubChem CID 10458131) has the molecular formula C32H38O4 and a molecular weight of 486.65 g/mol. Its IUPAC name is 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane.

Molecular Properties

Compound Name2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
PubChem CID10458131
Molecular FormulaC32H38O4
Molecular Weight486.65 g/mol
Exact Mass486.28
IUPAC Name2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
SMILESc1ccc(Cc2ccccc2Cc2ccccc2COC2CCCCO2)c(COC2CCCCO2)c1
InChIInChI=1S/C32H38O4/c1-2-12-26(22-28-14-4-6-16-30(28)24-36-32-18-8-10-20-34-32)25(11-1)21-27-13-3-5-15-29(27)23-35-31-17-7-9-19-33-31/h1-6,11-16,31-32H,7-10,17-24H2
InChIKeyCYMUHRLFWUHWPC-UHFFFAOYSA-N
XLogP6.95
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.65
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(naphthalen-1-ylmethoxy)oxane
CID 15471078
2-[[3-[[2-[[2-[(2-benzylphenyl)methyl]phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane
CID 10392867
2-[(2-methylsulfanylphenyl)methoxy]oxane
CID 156806048
dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102158600
2-[[2-[3-[3-[2-(oxan-2-yloxymethyl)phenyl]prop-2-ynoxy]prop-1-ynyl]phenyl]methoxy]oxane
CID 71520522
N'-hydroxy-2-(oxan-2-yloxymethyl)benzenecarboximidamide
CID 131748739
2-[(2,3-dimethoxyphenyl)methoxy]oxane
CID 11265241
2-(oxan-2-yloxymethyl)pyrimidine
CID 154401140
(3,5-dimethylphenyl)-dimethyl-[2-(oxan-2-yloxymethyl)phenyl]silane
CID 102529916
2-[(2-bromothiophen-3-yl)methoxy]oxane
CID 20815950
2-[(4-bromo-2-ethylphenyl)methoxy]oxane
CID 86762394
2-[(1-bromo-5,6,7,8-tetrahydronaphthalen-2-yl)methoxy]oxane
CID 59218386

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The IUPAC name of 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane (CID 10458131) is 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane.
What is the SMILES notation for 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The canonical SMILES for 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane is c1ccc(Cc2ccccc2Cc2ccccc2COC2CCCCO2)c(COC2CCCCO2)c1.
What is the InChIKey of 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
The InChIKey is CYMUHRLFWUHWPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38O4/c1-2-12-26(22-28-14-4-6-16-30(28)24-36-32-18-8-10-20-34-32)25(11-1)21-27-13-3-5-15-29(27)23-35-31-17-7-9-19-33-31/h1-6,11-16,31-32H,7-10,17-24H2.
What are the key properties of 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane?
2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane has a molecular weight of 486.65 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-[[2-(oxan-2-yloxymethyl)phenyl]methyl]phenyl]methyl]phenyl]methoxy]oxane is sourced from PubChem (CID 10458131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).