1,5-dichloro-2,6-dimethylnaphthalene

C12H10Cl2 — CID 21312589

IUPAC1,5-dichloro-2,6-dimethylnaphthalene
SMILESCc1ccc2c(Cl)c(C)ccc2c1Cl
InChIInChI=1S/C12H10Cl2/c1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14/h3-6H,1-2H3
InChIKeyXNEUJUZEUCYUPW-UHFFFAOYSA-N
MW225.12 g/mol
LogP4.76
Rot. Bonds

About 1,5-dichloro-2,6-dimethylnaphthalene

1,5-dichloro-2,6-dimethylnaphthalene (PubChem CID 21312589) has the molecular formula C12H10Cl2 and a molecular weight of 225.12 g/mol. Its IUPAC name is 1,5-dichloro-2,6-dimethylnaphthalene.

Molecular Properties

Compound Name1,5-dichloro-2,6-dimethylnaphthalene
PubChem CID21312589
Molecular FormulaC12H10Cl2
Molecular Weight225.12 g/mol
Exact Mass224.02
IUPAC Name1,5-dichloro-2,6-dimethylnaphthalene
SMILESCc1ccc2c(Cl)c(C)ccc2c1Cl
InChIInChI=1S/C12H10Cl2/c1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14/h3-6H,1-2H3
InChIKeyXNEUJUZEUCYUPW-UHFFFAOYSA-N
XLogP4.76
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,5-dichloro-2,6-dimethylnaphthalene?
The IUPAC name of 1,5-dichloro-2,6-dimethylnaphthalene (CID 21312589) is 1,5-dichloro-2,6-dimethylnaphthalene.
What is the SMILES notation for 1,5-dichloro-2,6-dimethylnaphthalene?
The canonical SMILES for 1,5-dichloro-2,6-dimethylnaphthalene is Cc1ccc2c(Cl)c(C)ccc2c1Cl.
What is the InChIKey of 1,5-dichloro-2,6-dimethylnaphthalene?
The InChIKey is XNEUJUZEUCYUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2/c1-7-3-5-10-9(11(7)13)6-4-8(2)12(10)14/h3-6H,1-2H3.
What are the key properties of 1,5-dichloro-2,6-dimethylnaphthalene?
1,5-dichloro-2,6-dimethylnaphthalene has a molecular weight of 225.12 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dichloro-2,6-dimethylnaphthalene is sourced from PubChem (CID 21312589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).