[diethoxy(phenyl)methyl]benzene

C17H20O2 — CID 11780130

IUPAC[diethoxy(phenyl)methyl]benzene
SMILESCCOC(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-3-18-17(19-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyDVYLYYOKYXHQPB-UHFFFAOYSA-N
MW256.34 g/mol
LogP3.96
Rot. Bonds6

About [diethoxy(phenyl)methyl]benzene

[diethoxy(phenyl)methyl]benzene (PubChem CID 11780130) has the molecular formula C17H20O2 and a molecular weight of 256.34 g/mol. Its IUPAC name is [diethoxy(phenyl)methyl]benzene.

Molecular Properties

Compound Name[diethoxy(phenyl)methyl]benzene
PubChem CID11780130
Molecular FormulaC17H20O2
Molecular Weight256.34 g/mol
Exact Mass256.15
IUPAC Name[diethoxy(phenyl)methyl]benzene
SMILESCCOC(OCC)(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H20O2/c1-3-18-17(19-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3
InChIKeyDVYLYYOKYXHQPB-UHFFFAOYSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [diethoxy(phenyl)methyl]benzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [diethoxy(phenyl)methyl]benzene?
The IUPAC name of [diethoxy(phenyl)methyl]benzene (CID 11780130) is [diethoxy(phenyl)methyl]benzene.
What is the SMILES notation for [diethoxy(phenyl)methyl]benzene?
The canonical SMILES for [diethoxy(phenyl)methyl]benzene is CCOC(OCC)(c1ccccc1)c1ccccc1.
What is the InChIKey of [diethoxy(phenyl)methyl]benzene?
The InChIKey is DVYLYYOKYXHQPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20O2/c1-3-18-17(19-4-2,15-11-7-5-8-12-15)16-13-9-6-10-14-16/h5-14H,3-4H2,1-2H3.
What are the key properties of [diethoxy(phenyl)methyl]benzene?
[diethoxy(phenyl)methyl]benzene has a molecular weight of 256.34 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diethoxy(phenyl)methyl]benzene is sourced from PubChem (CID 11780130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).