2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene

C14H11Br2ClO — CID 107088464

IUPAC2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene
SMILESCc1cc(Br)ccc1Oc1cccc(Cl)c1CBr
InChIInChI=1S/C14H11Br2ClO/c1-9-7-10(16)5-6-13(9)18-14-4-2-3-12(17)11(14)8-15/h2-7H,8H2,1H3
InChIKeyPEZZTEOTMZYSJO-UHFFFAOYSA-N
MW390.50 g/mol
LogP6.10
Rot. Bonds3

About 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene

2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene (PubChem CID 107088464) has the molecular formula C14H11Br2ClO and a molecular weight of 390.50 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene.

Molecular Properties

Compound Name2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene
PubChem CID107088464
Molecular FormulaC14H11Br2ClO
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene
SMILESCc1cc(Br)ccc1Oc1cccc(Cl)c1CBr
InChIInChI=1S/C14H11Br2ClO/c1-9-7-10(16)5-6-13(9)18-14-4-2-3-12(17)11(14)8-15/h2-7H,8H2,1H3
InChIKeyPEZZTEOTMZYSJO-UHFFFAOYSA-N
XLogP6.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene 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

N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]ethanamine
CID 63552227
N-[[2-(4-bromo-2-methylphenoxy)-6-chlorophenyl]methyl]cyclopropanamine
CID 63552228
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
1-[(5-bromo-2-methoxyphenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 114321006
1-[2-(bromomethyl)-3-chlorophenoxy]-2-tert-butyl-4-methylbenzene
CID 107086562
1-[2-(bromomethyl)-3-chlorophenoxy]-2,5-dimethyl-4-nitrobenzene
CID 107088451
[2-(4-bromo-2-chlorophenoxy)-6-chlorophenyl]methanamine
CID 28966393
1-[(4-bromo-2-fluorophenyl)methoxy]-2-(bromomethyl)-3-chlorobenzene
CID 113276980
(1R)-1-[4-(4-bromo-2-methylphenoxy)-3-chlorophenyl]ethanamine
CID 63533796
2-(4-bromo-2-methylphenoxy)-1-chloro-3-nitrobenzene
CID 114062733
2-[[4-bromo-2-(bromomethyl)phenoxy]methyl]-1,3-dichlorobenzene
CID 55222863
2-(bromomethyl)-1-chloro-3-[(2,5-dimethylphenyl)methoxy]benzene
CID 113276988

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene?
The IUPAC name of 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene (CID 107088464) is 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene.
What is the SMILES notation for 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene?
The canonical SMILES for 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene is Cc1cc(Br)ccc1Oc1cccc(Cl)c1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene?
The InChIKey is PEZZTEOTMZYSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Br2ClO/c1-9-7-10(16)5-6-13(9)18-14-4-2-3-12(17)11(14)8-15/h2-7H,8H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene?
2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene has a molecular weight of 390.50 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(4-bromo-2-methylphenoxy)-3-chlorobenzene is sourced from PubChem (CID 107088464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).