1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene

C21H19BrO2 — CID 2761019

IUPAC1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
SMILESBrCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C21H19BrO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyWGMYJGAUAQXYFQ-UHFFFAOYSA-N
MW383.28 g/mol
LogP5.74
Rot. Bonds7

About 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene

1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene (PubChem CID 2761019) has the molecular formula C21H19BrO2 and a molecular weight of 383.28 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
PubChem CID2761019
Molecular FormulaC21H19BrO2
Molecular Weight383.28 g/mol
Exact Mass382.06
IUPAC Name1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene
SMILESBrCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1
InChIInChI=1S/C21H19BrO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2
InChIKeyWGMYJGAUAQXYFQ-UHFFFAOYSA-N
XLogP5.74
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.28
LogP ≤ 55.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(bromomethyl)-3,5-bis(phenylmethoxy)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 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene (CID 2761019) is 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene is BrCc1cc(OCc2ccccc2)cc(OCc2ccccc2)c1.
What is the InChIKey of 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene?
The InChIKey is WGMYJGAUAQXYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrO2/c22-14-19-11-20(23-15-17-7-3-1-4-8-17)13-21(12-19)24-16-18-9-5-2-6-10-18/h1-13H,14-16H2.
What are the key properties of 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene?
1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene has a molecular weight of 383.28 g/mol, XLogP of 5.74, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-bis(phenylmethoxy)benzene is sourced from PubChem (CID 2761019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).