2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene

C15H14BrClO2 — CID 63535495

IUPAC2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccccc2CCl)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-18-15-7-6-11(8-13(15)16)10-19-14-5-3-2-4-12(14)9-17/h2-8H,9-10H2,1H3
InChIKeyYDIACQPOXRFEBK-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.78
Rot. Bonds5

About 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene

2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene (PubChem CID 63535495) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
PubChem CID63535495
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
SMILESCOc1ccc(COc2ccccc2CCl)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-18-15-7-6-11(8-13(15)16)10-19-14-5-3-2-4-12(14)9-17/h2-8H,9-10H2,1H3
InChIKeyYDIACQPOXRFEBK-UHFFFAOYSA-N
XLogP4.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene 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-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
4-bromo-2-(chloromethyl)-1-[(2-methoxyphenyl)methoxy]benzene
CID 55225136
(1R)-1-[2-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]ethanol
CID 63364819
[3-bromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 63045813
2-[[2-(chloromethyl)phenoxy]methyl]-1-methoxy-4-methylbenzene
CID 62161146
1-[3-bromo-4-[(2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 63045660
[3,5-dibromo-4-[(3-bromo-4-methoxyphenyl)methoxy]phenyl]methanamine
CID 107741586
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
CID 104708026
2-bromo-4-[[2-(bromomethyl)-5-methoxyphenoxy]methyl]-1-methoxybenzene
CID 63536563
2-bromo-4-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1-methoxybenzene
CID 115402080
5-[[2-(hydroxymethyl)phenoxy]methyl]-2-methoxybenzenecarbothioamide
CID 65343958

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene (CID 63535495) is 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene is COc1ccc(COc2ccccc2CCl)cc1Br.
What is the InChIKey of 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene?
The InChIKey is YDIACQPOXRFEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-15-7-6-11(8-13(15)16)10-19-14-5-3-2-4-12(14)9-17/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene?
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene is sourced from PubChem (CID 63535495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).