1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene

C17H10Cl4 — CID 79592810

IUPAC1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(Cl)c(C(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H10Cl4/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyNCGFARZTTNGPLG-UHFFFAOYSA-N
MW356.08 g/mol
LogP7.13
Rot. Bonds2

About 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene

1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene (PubChem CID 79592810) has the molecular formula C17H10Cl4 and a molecular weight of 356.08 g/mol. Its IUPAC name is 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
PubChem CID79592810
Molecular FormulaC17H10Cl4
Molecular Weight356.08 g/mol
Exact Mass353.95
IUPAC Name1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene
SMILESClc1ccc(Cl)c(C(Cl)c2ccc(Cl)c3ccccc23)c1
InChIInChI=1S/C17H10Cl4/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H
InChIKeyNCGFARZTTNGPLG-UHFFFAOYSA-N
XLogP7.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.08
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene (CID 79592810) is 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene is Clc1ccc(Cl)c(C(Cl)c2ccc(Cl)c3ccccc23)c1.
What is the InChIKey of 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene?
The InChIKey is NCGFARZTTNGPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl4/c18-10-5-7-16(20)14(9-10)17(21)13-6-8-15(19)12-4-2-1-3-11(12)13/h1-9,17H.
What are the key properties of 1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene?
1-chloro-4-[chloro-(2,5-dichlorophenyl)methyl]naphthalene has a molecular weight of 356.08 g/mol, XLogP of 7.13, 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-(2,5-dichlorophenyl)methyl]naphthalene is sourced from PubChem (CID 79592810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).