2-bromo-4-chloro-1-methoxybenzene

C14H12Br2Cl2O2 — CID 140982994

IUPAC2-bromo-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1Br
InChIInChI=1S/2C7H6BrClO/c2*1-10-7-3-2-5(9)4-6(7)8/h2*2-4H,1H3
InChIKeyIPHHGESYIJCKMX-UHFFFAOYSA-N
MW442.96 g/mol
LogP6.22
Rot. Bonds2

About 2-bromo-4-chloro-1-methoxybenzene

2-bromo-4-chloro-1-methoxybenzene (PubChem CID 140982994) has the molecular formula C14H12Br2Cl2O2 and a molecular weight of 442.96 g/mol. Its IUPAC name is 2-bromo-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-chloro-1-methoxybenzene
PubChem CID140982994
Molecular FormulaC14H12Br2Cl2O2
Molecular Weight442.96 g/mol
Exact Mass439.86
IUPAC Name2-bromo-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1Br
InChIInChI=1S/2C7H6BrClO/c2*1-10-7-3-2-5(9)4-6(7)8/h2*2-4H,1H3
InChIKeyIPHHGESYIJCKMX-UHFFFAOYSA-N
XLogP6.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.96
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-4-chloro-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-chloro-1-methylperoxybenzene
CID 175375025
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
CID 114024894
3-bromo-6-chloro-2-methoxynaphthalene
CID 84713048
(3-bromo-4-methoxyphenyl)-(5-chloro-2-methoxyphenyl)methanone
CID 43339859
3-bromo-N-(2-bromo-4-chlorophenyl)-4-methoxybenzamide
CID 81027184
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
(3-bromo-4-methoxyphenyl)-(5-chloro-2-fluorophenyl)methanamine
CID 43131063
1-(3-bromo-4-methoxyphenyl)-1-(4-chlorophenyl)-N-methylmethanamine
CID 43479980
2-bromo-4-chloro-1-(1,1-difluoroethoxy)benzene
CID 162682388
(3-bromo-4-methoxyphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 43339851
2-(3-bromo-4-methoxyphenyl)-1-(5-chloro-2-methoxyphenyl)ethanone
CID 114964675

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-chloro-1-methoxybenzene?
The IUPAC name of 2-bromo-4-chloro-1-methoxybenzene (CID 140982994) is 2-bromo-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1Br.COc1ccc(Cl)cc1Br.
What is the InChIKey of 2-bromo-4-chloro-1-methoxybenzene?
The InChIKey is IPHHGESYIJCKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6BrClO/c2*1-10-7-3-2-5(9)4-6(7)8/h2*2-4H,1H3.
What are the key properties of 2-bromo-4-chloro-1-methoxybenzene?
2-bromo-4-chloro-1-methoxybenzene has a molecular weight of 442.96 g/mol, XLogP of 6.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-chloro-1-methoxybenzene is sourced from PubChem (CID 140982994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).