1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene

C19H16BrCl — CID 79592838

IUPAC1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
SMILESCc1ccc(C)c(C(Br)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H16BrCl/c1-12-7-8-13(2)17(11-12)19(20)16-9-10-18(21)15-6-4-3-5-14(15)16/h3-11,19H,1-2H3
InChIKeyKVAXVEBDWXRRFG-UHFFFAOYSA-N
MW359.69 g/mol
LogP6.59
Rot. Bonds2

About 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene

1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene (PubChem CID 79592838) has the molecular formula C19H16BrCl and a molecular weight of 359.69 g/mol. Its IUPAC name is 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
PubChem CID79592838
Molecular FormulaC19H16BrCl
Molecular Weight359.69 g/mol
Exact Mass358.01
IUPAC Name1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
SMILESCc1ccc(C)c(C(Br)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C19H16BrCl/c1-12-7-8-13(2)17(11-12)19(20)16-9-10-18(21)15-6-4-3-5-14(15)16/h3-11,19H,1-2H3
InChIKeyKVAXVEBDWXRRFG-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.69
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene 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-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863173
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
1-[chloro-(2-chloro-4-methylphenyl)methyl]-4-methylnaphthalene
CID 106863171
1-[bromo-(2,5-dimethylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443615
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
2-bromo-4-[bromo-(2,5-dimethylphenyl)methyl]-1-chlorobenzene
CID 107991658
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
1-[bromo-(2,5-dimethylphenyl)methyl]-2,3-dimethylbenzene
CID 63442341

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene (CID 79592838) is 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene is Cc1ccc(C)c(C(Br)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene?
The InChIKey is KVAXVEBDWXRRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrCl/c1-12-7-8-13(2)17(11-12)19(20)16-9-10-18(21)15-6-4-3-5-14(15)16/h3-11,19H,1-2H3.
What are the key properties of 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene?
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene has a molecular weight of 359.69 g/mol, XLogP of 6.59, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene is sourced from PubChem (CID 79592838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).