[diphenyl(2-phenylmethoxyethoxy)methyl]benzene

C28H26O2 — CID 99938038

IUPAC[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
SMILESc1ccc(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2
InChIKeySAEXVXUDXVPSKT-UHFFFAOYSA-N
MW394.51 g/mol
LogP6.21
Rot. Bonds9

About [diphenyl(2-phenylmethoxyethoxy)methyl]benzene

[diphenyl(2-phenylmethoxyethoxy)methyl]benzene (PubChem CID 99938038) has the molecular formula C28H26O2 and a molecular weight of 394.51 g/mol. Its IUPAC name is [diphenyl(2-phenylmethoxyethoxy)methyl]benzene.

Molecular Properties

Compound Name[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
PubChem CID99938038
Molecular FormulaC28H26O2
Molecular Weight394.51 g/mol
Exact Mass394.19
IUPAC Name[diphenyl(2-phenylmethoxyethoxy)methyl]benzene
SMILESc1ccc(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C28H26O2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2
InChIKeySAEXVXUDXVPSKT-UHFFFAOYSA-N
XLogP6.21
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.51
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

Analyze [diphenyl(2-phenylmethoxyethoxy)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

Related Compounds

[2-[2-methyl-4-(2-methyl-4-phenylmethoxybutan-2-yl)oxybutan-2-yl]oxyethoxy-diphenylmethyl]benzene
CID 143148556
2-(trifluoromethoxy)ethoxymethylbenzene
CID 154682514
1-methoxy-4-[(4-methoxyphenyl)-phenyl-[3-[3-(4-phenylmethoxybutoxy)propoxy]propoxy]methyl]benzene
CID 175834590
1-methoxy-4-(10-trityloxydecoxymethyl)benzene
CID 11284058
(2S)-1-phenylmethoxy-3-trityloxypropan-2-ol
CID 11582634
2-[[4-[diphenyl(propoxy)methyl]phenyl]methoxy]ethyl 2-methylprop-2-enoate
CID 90442636
5-[2-(5-phenylmethoxypentoxy)ethoxy]pentoxymethylbenzene
CID 135358353
2-(2,2,2-trifluoroethoxy)ethoxymethylbenzene
CID 14221122
(2R)-2-(2-trityloxyethoxymethyl)oxirane
CID 150655953
1-bis(phenylmethoxy)phosphoryl-4-trityloxybutan-2-one
CID 11146358
2-(2-phenylmethoxyethoxy)ethoxymethanol
CID 57257914
2-[2-(2-methoxyethoxy)ethoxy]ethoxymethylbenzene
CID 15050635

Frequently Asked Questions

What is the IUPAC name of [diphenyl(2-phenylmethoxyethoxy)methyl]benzene?
The IUPAC name of [diphenyl(2-phenylmethoxyethoxy)methyl]benzene (CID 99938038) is [diphenyl(2-phenylmethoxyethoxy)methyl]benzene.
What is the SMILES notation for [diphenyl(2-phenylmethoxyethoxy)methyl]benzene?
The canonical SMILES for [diphenyl(2-phenylmethoxyethoxy)methyl]benzene is c1ccc(COCCOC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of [diphenyl(2-phenylmethoxyethoxy)methyl]benzene?
The InChIKey is SAEXVXUDXVPSKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26O2/c1-5-13-24(14-6-1)23-29-21-22-30-28(25-15-7-2-8-16-25,26-17-9-3-10-18-26)27-19-11-4-12-20-27/h1-20H,21-23H2.
What are the key properties of [diphenyl(2-phenylmethoxyethoxy)methyl]benzene?
[diphenyl(2-phenylmethoxyethoxy)methyl]benzene has a molecular weight of 394.51 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [diphenyl(2-phenylmethoxyethoxy)methyl]benzene is sourced from PubChem (CID 99938038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).