1-benzyl-3-phenyl-2-phenylmethoxybenzene

C26H22O — CID 58238649

IUPAC1-benzyl-3-phenyl-2-phenylmethoxybenzene
SMILESc1ccc(COc2c(Cc3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C26H22O/c1-4-11-21(12-5-1)19-24-17-10-18-25(23-15-8-3-9-16-23)26(24)27-20-22-13-6-2-7-14-22/h1-18H,19-20H2
InChIKeyWUXWZFUFASPIKJ-UHFFFAOYSA-N
MW350.46 g/mol
LogP6.52
Rot. Bonds6

About 1-benzyl-3-phenyl-2-phenylmethoxybenzene

1-benzyl-3-phenyl-2-phenylmethoxybenzene (PubChem CID 58238649) has the molecular formula C26H22O and a molecular weight of 350.46 g/mol. Its IUPAC name is 1-benzyl-3-phenyl-2-phenylmethoxybenzene.

Molecular Properties

Compound Name1-benzyl-3-phenyl-2-phenylmethoxybenzene
PubChem CID58238649
Molecular FormulaC26H22O
Molecular Weight350.46 g/mol
Exact Mass350.17
IUPAC Name1-benzyl-3-phenyl-2-phenylmethoxybenzene
SMILESc1ccc(COc2c(Cc3ccccc3)cccc2-c2ccccc2)cc1
InChIInChI=1S/C26H22O/c1-4-11-21(12-5-1)19-24-17-10-18-25(23-15-8-3-9-16-23)26(24)27-20-22-13-6-2-7-14-22/h1-18H,19-20H2
InChIKeyWUXWZFUFASPIKJ-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-benzyl-3-phenyl-2-phenylmethoxybenzene 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

1-ethyl-3-phenyl-2-phenylmethoxybenzene
CID 123935467
(2-benzyl-6-phenylphenyl) dihydrogen phosphate
CID 141022592
1-methoxy-3-phenyl-2-phenylmethoxybenzene
CID 11994921
1-[1-(2-methylphenyl)ethenyl]-3-phenyl-2-phenylmethoxybenzene
CID 58238534
5-phenyl-4-phenylmethoxy-1,3-benzodioxole
CID 70629497
2-phenylmethoxybenzene-1,3-diol
CID 15652625
2-(2-methoxyphenyl)-1-(3-phenyl-2-phenylmethoxyphenyl)ethanol
CID 67151271
4-benzyl-7-phenyl-1,10-phenanthroline
CID 142216618
3-(2-benzylphenyl)-1-(4-phenoxyphenyl)-4-(3-phenylmethoxyphenyl)-2-(trifluoromethoxy)benzene
CID 123915119
(2-benzyl-6-phenylphenyl) but-2-ynyl carbonate
CID 121311454
2-phenylmethoxy-3-pyridin-3-ylbenzaldehyde
CID 22444385
(2-methoxy-3-phenylphenyl)-phenyl-(3-phenyl-2-phenylmethoxyphenyl)methanol
CID 58238515

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-phenyl-2-phenylmethoxybenzene?
The IUPAC name of 1-benzyl-3-phenyl-2-phenylmethoxybenzene (CID 58238649) is 1-benzyl-3-phenyl-2-phenylmethoxybenzene.
What is the SMILES notation for 1-benzyl-3-phenyl-2-phenylmethoxybenzene?
The canonical SMILES for 1-benzyl-3-phenyl-2-phenylmethoxybenzene is c1ccc(COc2c(Cc3ccccc3)cccc2-c2ccccc2)cc1.
What is the InChIKey of 1-benzyl-3-phenyl-2-phenylmethoxybenzene?
The InChIKey is WUXWZFUFASPIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22O/c1-4-11-21(12-5-1)19-24-17-10-18-25(23-15-8-3-9-16-23)26(24)27-20-22-13-6-2-7-14-22/h1-18H,19-20H2.
What are the key properties of 1-benzyl-3-phenyl-2-phenylmethoxybenzene?
1-benzyl-3-phenyl-2-phenylmethoxybenzene has a molecular weight of 350.46 g/mol, XLogP of 6.52, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-phenyl-2-phenylmethoxybenzene is sourced from PubChem (CID 58238649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).