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

C17H10Br2Cl2 — CID 107958979

IUPAC1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2Br)c2ccccc12
InChIInChI=1S/C17H10Br2Cl2/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyBNIKHBUBYXSDRG-UHFFFAOYSA-N
MW444.98 g/mol
LogP7.35
Rot. Bonds2

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

1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene (PubChem CID 107958979) has the molecular formula C17H10Br2Cl2 and a molecular weight of 444.98 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
PubChem CID107958979
Molecular FormulaC17H10Br2Cl2
Molecular Weight444.98 g/mol
Exact Mass441.85
IUPAC Name1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)c2ccc(Br)cc2Br)c2ccccc12
InChIInChI=1S/C17H10Br2Cl2/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyBNIKHBUBYXSDRG-UHFFFAOYSA-N
XLogP7.35
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 ≤ 57.35
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-chloronaphthalen-1-yl)-(2,4-dibromophenyl)methanol
CID 107955684
1-[(3-bromo-2-methylphenyl)-chloromethyl]-4-chloronaphthalene
CID 79592610
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
CID 79592810
2,4-dibromo-1-[chloro(phenyl)methyl]benzene
CID 107955854
1-chloro-4-[chloro-(5-chloro-2-fluorophenyl)methyl]naphthalene
CID 79592824
2-(4-bromophenyl)-1-(4-chloronaphthalen-1-yl)ethanamine
CID 79592129
1-bromo-4-[chloro-(2,4-dichlorophenyl)methyl]naphthalene
CID 79591167
1-chloro-4-[chloro-(2,4-dimethylphenyl)methyl]naphthalene
CID 79592602
1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
CID 79593048
2,4-dibromo-1-[chloro-(4-chlorophenyl)methyl]benzene
CID 107955847
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776
1-chloro-4-[chloro-(4-chloro-3-fluorophenyl)methyl]naphthalene
CID 107991970

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene (CID 107958979) is 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene is Clc1ccc(C(Cl)c2ccc(Br)cc2Br)c2ccccc12.
What is the InChIKey of 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene?
The InChIKey is BNIKHBUBYXSDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2Cl2/c18-10-5-6-14(15(19)9-10)17(21)13-7-8-16(20)12-4-2-1-3-11(12)13/h1-9,17H.
What are the key properties of 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene?
1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene has a molecular weight of 444.98 g/mol, XLogP of 7.35, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro-(2,4-dibromophenyl)methyl]naphthalene is sourced from PubChem (CID 107958979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).