1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene

C14H10BrCl3 — CID 81111875

IUPAC1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10BrCl3/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,1H3
InChIKeyYUICXEFVRHOXMR-UHFFFAOYSA-N
MW364.50 g/mol
LogP6.39
Rot. Bonds2

About 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene

1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene (PubChem CID 81111875) has the molecular formula C14H10BrCl3 and a molecular weight of 364.50 g/mol. Its IUPAC name is 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
PubChem CID81111875
Molecular FormulaC14H10BrCl3
Molecular Weight364.50 g/mol
Exact Mass361.90
IUPAC Name1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene
SMILESCc1ccc(Br)c(C(Cl)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10BrCl3/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,1H3
InChIKeyYUICXEFVRHOXMR-UHFFFAOYSA-N
XLogP6.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.50
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene 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-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
1-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-4-methylbenzene
CID 81112019
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4,5-dimethylbenzene
CID 113319625
1-bromo-2-[(4-butan-2-ylphenyl)-chloromethyl]-4-methylbenzene
CID 81112235
3-amino-1-(2-bromo-5-methylphenyl)-2-(3,4-dichlorophenyl)propan-1-ol
CID 81117504
2-bromo-4-[chloro-(3,4-dichlorophenyl)methyl]-1-methylbenzene
CID 81476163
1,4-dibromo-2-[(4-bromo-3-chlorophenyl)-chloromethyl]-5-methylbenzene
CID 81472967
7-[(2-bromo-5-methylphenyl)-chloromethyl]-3,4-dihydro-2H-1,5-benzodioxepine
CID 81111855
4-bromo-1-chloro-2-[chloro-(3,4-dichlorophenyl)methyl]benzene
CID 63436360
1,2-dichloro-4-[chloro-(3-methylphenyl)methyl]benzene
CID 63436326
1-[(2-bromo-5-methylphenyl)-chloromethyl]-2-chloro-4-fluoro-5-methylbenzene
CID 81116914
5-[(2-bromo-5-methylphenyl)-chloromethyl]-1,3-dihydroindol-2-one
CID 81111417

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene?
The IUPAC name of 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene (CID 81111875) is 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene?
The canonical SMILES for 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene is Cc1ccc(Br)c(C(Cl)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene?
The InChIKey is YUICXEFVRHOXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl3/c1-8-2-4-11(15)10(6-8)14(18)9-3-5-12(16)13(17)7-9/h2-7,14H,1H3.
What are the key properties of 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene?
1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene has a molecular weight of 364.50 g/mol, XLogP of 6.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[chloro-(3,4-dichlorophenyl)methyl]-4-methylbenzene is sourced from PubChem (CID 81111875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).