1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene

C17H11BrCl2 — CID 79597605

IUPAC1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
SMILESClc1ccc(C(Br)c2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C17H11BrCl2/c18-17(11-5-7-12(19)8-6-11)15-9-10-16(20)14-4-2-1-3-13(14)15/h1-10,17H
InChIKeySJYVLQAZFFOLHA-UHFFFAOYSA-N
MW366.09 g/mol
LogP6.63
Rot. Bonds2

About 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene

1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene (PubChem CID 79597605) has the molecular formula C17H11BrCl2 and a molecular weight of 366.09 g/mol. Its IUPAC name is 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
PubChem CID79597605
Molecular FormulaC17H11BrCl2
Molecular Weight366.09 g/mol
Exact Mass363.94
IUPAC Name1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene
SMILESClc1ccc(C(Br)c2ccc(Cl)c3ccccc23)cc1
InChIInChI=1S/C17H11BrCl2/c18-17(11-5-7-12(19)8-6-11)15-9-10-16(20)14-4-2-1-3-13(14)15/h1-10,17H
InChIKeySJYVLQAZFFOLHA-UHFFFAOYSA-N
XLogP6.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.09
LogP ≤ 56.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-[bromo-(3,5-dichlorophenyl)methyl]-4-chloronaphthalene
CID 79593014
1-[bromo-(3,5-dimethylphenyl)methyl]-4-chloronaphthalene
CID 79593024
2-[bromo-(4-chlorophenyl)methyl]-1,4-dichlorobenzene
CID 63437551
2-[bromo-(4-chloronaphthalen-1-yl)methyl]thiophene
CID 79596911
1-[(R)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642290
1-[(S)-bromo(phenyl)methyl]-4-chlorobenzene
CID 96642289
1-[bromo-(2-chloro-4-methylphenyl)methyl]-4-chloronaphthalene
CID 106863195
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]-4-chloronaphthalene
CID 79592838
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970
1-[bromo-(3,4-dichlorophenyl)methyl]naphthalene
CID 63444748

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene (CID 79597605) is 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene is Clc1ccc(C(Br)c2ccc(Cl)c3ccccc23)cc1.
What is the InChIKey of 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene?
The InChIKey is SJYVLQAZFFOLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11BrCl2/c18-17(11-5-7-12(19)8-6-11)15-9-10-16(20)14-4-2-1-3-13(14)15/h1-10,17H.
What are the key properties of 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene?
1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene has a molecular weight of 366.09 g/mol, XLogP of 6.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(4-chlorophenyl)methyl]-4-chloronaphthalene is sourced from PubChem (CID 79597605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).