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

C17H10BrCl3 — CID 79591167

IUPAC1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)c2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H10BrCl3/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(19)9-16(14)20/h1-9,17H
InChIKeyRTVHNXQZQJKJGJ-UHFFFAOYSA-N
MW400.53 g/mol
LogP7.24
Rot. Bonds2

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

1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene (PubChem CID 79591167) has the molecular formula C17H10BrCl3 and a molecular weight of 400.53 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
PubChem CID79591167
Molecular FormulaC17H10BrCl3
Molecular Weight400.53 g/mol
Exact Mass397.90
IUPAC Name1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)c2ccc(Br)c3ccccc23)c(Cl)c1
InChIInChI=1S/C17H10BrCl3/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(19)9-16(14)20/h1-9,17H
InChIKeyRTVHNXQZQJKJGJ-UHFFFAOYSA-N
XLogP7.24
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 ≤ 57.24
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-4-[chloro-(4-chlorophenyl)methyl]naphthalene
CID 79597714
1-bromo-4-[chloro-(3-chlorophenyl)methyl]naphthalene
CID 79597875
1-bromo-4-[(3-bromo-4-fluorophenyl)-chloromethyl]naphthalene
CID 107958992
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
1-bromo-4-[chloro-(3,5-dibromophenyl)methyl]naphthalene
CID 107980964
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
(4-bromonaphthalen-1-yl)-(5-chloro-2-fluorophenyl)methanamine
CID 79589880
1-[(5-bromo-2-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63444065
1,4-dichloro-2-[chloro-(2,4-dichlorophenyl)methyl]benzene
CID 63436201
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
CID 107958979
1-[(4-bromophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63429159
1-[(3-bromo-4-chlorophenyl)-chloromethyl]-2,4-dichlorobenzene
CID 114024931

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene?
The IUPAC name of 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene (CID 79591167) is 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene is Clc1ccc(C(Cl)c2ccc(Br)c3ccccc23)c(Cl)c1.
What is the InChIKey of 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene?
The InChIKey is RTVHNXQZQJKJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrCl3/c18-15-8-7-13(11-3-1-2-4-12(11)15)17(21)14-6-5-10(19)9-16(14)20/h1-9,17H.
What are the key properties of 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene?
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene has a molecular weight of 400.53 g/mol, XLogP of 7.24, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene is sourced from PubChem (CID 79591167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).