1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene

C24H25ClO — CID 3067142

IUPAC1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene
SMILESCC(C)(COCc1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClO/c1-24(2,22-11-13-23(25)14-12-22)18-26-17-21-10-6-9-20(16-21)15-19-7-4-3-5-8-19/h3-14,16H,15,17-18H2,1-2H3
InChIKeyUWNDANYZAJMRGB-UHFFFAOYSA-N
MW364.92 g/mol
LogP6.43
Rot. Bonds7

About 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene

1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene (PubChem CID 3067142) has the molecular formula C24H25ClO and a molecular weight of 364.92 g/mol. Its IUPAC name is 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene.

Molecular Properties

Compound Name1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene
PubChem CID3067142
Molecular FormulaC24H25ClO
Molecular Weight364.92 g/mol
Exact Mass364.16
IUPAC Name1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene
SMILESCC(C)(COCc1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1
InChIInChI=1S/C24H25ClO/c1-24(2,22-11-13-23(25)14-12-22)18-26-17-21-10-6-9-20(16-21)15-19-7-4-3-5-8-19/h3-14,16H,15,17-18H2,1-2H3
InChIKeyUWNDANYZAJMRGB-UHFFFAOYSA-N
XLogP6.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.92
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene?
The IUPAC name of 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene (CID 3067142) is 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene.
What is the SMILES notation for 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene?
The canonical SMILES for 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene is CC(C)(COCc1cccc(Cc2ccccc2)c1)c1ccc(Cl)cc1.
What is the InChIKey of 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene?
The InChIKey is UWNDANYZAJMRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClO/c1-24(2,22-11-13-23(25)14-12-22)18-26-17-21-10-6-9-20(16-21)15-19-7-4-3-5-8-19/h3-14,16H,15,17-18H2,1-2H3.
What are the key properties of 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene?
1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene has a molecular weight of 364.92 g/mol, XLogP of 6.43, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-[[2-(4-chlorophenyl)-2-methylpropoxy]methyl]benzene is sourced from PubChem (CID 3067142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).