1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene

C17H10BrCl3 — CID 79593014

IUPAC1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
SMILESClc1cc(Cl)cc(C(Br)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H10BrCl3/c18-17(10-7-11(19)9-12(20)8-10)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyHWILGOZIRFWISP-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.28
Rot. Bonds2

About 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene

1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene (PubChem CID 79593014) has the molecular formula C17H10BrCl3 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
PubChem CID79593014
Molecular FormulaC17H10BrCl3
Molecular Weight400.53 g/mol
Exact Mass397.90
IUPAC Name1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
SMILESClc1cc(Cl)cc(C(Br)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H10BrCl3/c18-17(10-7-11(19)9-12(20)8-10)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H
InChIKeyHWILGOZIRFWISP-UHFFFAOYSA-N
XLogP7.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.53
LogP ≤ 57.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-[bromo-(3,5-dichlorophenyl)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-(4-chlorophenyl)methyl]-4-chloronaphthalene
CID 79597605
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
CID 79596911
1-[bromo-(2,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79592838
(3-chloro-5-methylphenyl)-(4-chloronaphthalen-1-yl)methanol
CID 81317253
(4-chloronaphthalen-1-yl)-(3-chlorophenyl)methanamine
CID 79597376
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methylthiophene
CID 79596914
1-(4-chloronaphthalen-1-yl)-1-(3-chlorophenyl)-N-methylmethanamine
CID 79591643
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene (CID 79593014) is 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene is Clc1cc(Cl)cc(C(Br)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene?
The InChIKey is HWILGOZIRFWISP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrCl3/c18-17(10-7-11(19)9-12(20)8-10)15-5-6-16(21)14-4-2-1-3-13(14)15/h1-9,17H.
What are the key properties of 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene?
1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene has a molecular weight of 400.53 g/mol, XLogP of 7.28, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene is sourced from PubChem (CID 79593014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).