2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene

C14H10Br3ClO — CID 114024894

IUPAC2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-5-2-8(6-12(13)16)14(17)10-4-3-9(18)7-11(10)15/h2-7,14H,1H3
InChIKeyQMJWQBHXTOXTCB-UHFFFAOYSA-N
MW469.40 g/mol
LogP6.36
Rot. Bonds3

About 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene

2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene (PubChem CID 114024894) has the molecular formula C14H10Br3ClO and a molecular weight of 469.40 g/mol. Its IUPAC name is 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene.

Molecular Properties

Compound Name2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
PubChem CID114024894
Molecular FormulaC14H10Br3ClO
Molecular Weight469.40 g/mol
Exact Mass465.80
IUPAC Name2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene
SMILESCOc1ccc(C(Br)c2ccc(Cl)cc2Br)cc1Br
InChIInChI=1S/C14H10Br3ClO/c1-19-13-5-2-8(6-12(13)16)14(17)10-4-3-9(18)7-11(10)15/h2-7,14H,1H3
InChIKeyQMJWQBHXTOXTCB-UHFFFAOYSA-N
XLogP6.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.40
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-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

1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chloro-2-methoxybenzene
CID 63435996
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
(3-bromo-4-methoxyphenyl)-(2,4-dichlorophenyl)methanol
CID 61100992
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155
1-bromo-3-[bromo-(3-bromo-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107957792
2-bromo-1-[bromo-(3,4-difluorophenyl)methyl]-4-chlorobenzene
CID 114024911
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
2-bromo-4-[bromo-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 55198539

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene?
The IUPAC name of 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene (CID 114024894) is 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene.
What is the SMILES notation for 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene?
The canonical SMILES for 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene is COc1ccc(C(Br)c2ccc(Cl)cc2Br)cc1Br.
What is the InChIKey of 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene?
The InChIKey is QMJWQBHXTOXTCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Br3ClO/c1-19-13-5-2-8(6-12(13)16)14(17)10-4-3-9(18)7-11(10)15/h2-7,14H,1H3.
What are the key properties of 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene?
2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene has a molecular weight of 469.40 g/mol, XLogP of 6.36, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-4-chlorobenzene is sourced from PubChem (CID 114024894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).