1,8-dichloronaphthalene

C10H6Cl2 — CID 16311

IUPAC1,8-dichloronaphthalene
SMILESClc1cccc2cccc(Cl)c12
InChIInChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyADRYPAGQXFMVFP-UHFFFAOYSA-N
MW197.06 g/mol
LogP4.15
Rot. Bonds

About 1,8-dichloronaphthalene

1,8-dichloronaphthalene (PubChem CID 16311) has the molecular formula C10H6Cl2 and a molecular weight of 197.06 g/mol. Its IUPAC name is 1,8-dichloronaphthalene.

Molecular Properties

Compound Name1,8-dichloronaphthalene
PubChem CID16311
Molecular FormulaC10H6Cl2
Molecular Weight197.06 g/mol
Exact Mass195.98
IUPAC Name1,8-dichloronaphthalene
SMILESClc1cccc2cccc(Cl)c12
InChIInChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H
InChIKeyADRYPAGQXFMVFP-UHFFFAOYSA-N
XLogP4.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.06
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloronaphthalene?
The IUPAC name of 1,8-dichloronaphthalene (CID 16311) is 1,8-dichloronaphthalene.
What is the SMILES notation for 1,8-dichloronaphthalene?
The canonical SMILES for 1,8-dichloronaphthalene is Clc1cccc2cccc(Cl)c12.
What is the InChIKey of 1,8-dichloronaphthalene?
The InChIKey is ADRYPAGQXFMVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2/c11-8-5-1-3-7-4-2-6-9(12)10(7)8/h1-6H.
What are the key properties of 1,8-dichloronaphthalene?
1,8-dichloronaphthalene has a molecular weight of 197.06 g/mol, XLogP of 4.15, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloronaphthalene is sourced from PubChem (CID 16311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).