1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene

C17H10Br2Cl2 — CID 79590906

IUPAC1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cl)c1C(Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H10Br2Cl2/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(19)16-14(20)6-3-7-15(16)21/h1-9,17H
InChIKeyZFIZULMZZOZDCT-UHFFFAOYSA-N
MW444.98 g/mol
LogP7.39
Rot. Bonds2

About 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene

1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene (PubChem CID 79590906) has the molecular formula C17H10Br2Cl2 and a molecular weight of 444.98 g/mol. Its IUPAC name is 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
PubChem CID79590906
Molecular FormulaC17H10Br2Cl2
Molecular Weight444.98 g/mol
Exact Mass441.85
IUPAC Name1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene
SMILESClc1cccc(Cl)c1C(Br)c1ccc(Br)c2ccccc12
InChIInChI=1S/C17H10Br2Cl2/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(19)16-14(20)6-3-7-15(16)21/h1-9,17H
InChIKeyZFIZULMZZOZDCT-UHFFFAOYSA-N
XLogP7.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.98
LogP ≤ 57.39
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

(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanamine
CID 79589877
(4-bromonaphthalen-1-yl)-(2,3-dichlorophenyl)methanol
CID 79590685
1-bromo-4-[bromo-(3-chloro-4-methylphenyl)methyl]naphthalene
CID 79590704
1-bromo-4-[bromo-(3,5-dibromophenyl)methyl]naphthalene
CID 107980963
2-[bromo(phenyl)methyl]-1,3-dichlorobenzene
CID 63437122
1,4-dibromonaphthalene
CID 162208061
1-bromo-4-[bromo-(2,4-difluorophenyl)methyl]naphthalene
CID 79590922
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-bromo-4-[bromo-(2,4-dimethylphenyl)methyl]naphthalene
CID 79590884
(4-bromo-3-chlorophenyl)-(4-bromonaphthalen-1-yl)methanamine
CID 81291209
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene (CID 79590906) is 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene is Clc1cccc(Cl)c1C(Br)c1ccc(Br)c2ccccc12.
What is the InChIKey of 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene?
The InChIKey is ZFIZULMZZOZDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2Cl2/c18-13-9-8-12(10-4-1-2-5-11(10)13)17(19)16-14(20)6-3-7-15(16)21/h1-9,17H.
What are the key properties of 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene?
1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene has a molecular weight of 444.98 g/mol, XLogP of 7.39, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[bromo-(2,6-dichlorophenyl)methyl]naphthalene is sourced from PubChem (CID 79590906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).