3-chloro-2,6-dimethylnaphthalene

C12H11Cl — CID 138458310

IUPAC3-chloro-2,6-dimethylnaphthalene
SMILESCc1ccc2cc(C)c(Cl)cc2c1
InChIInChI=1S/C12H11Cl/c1-8-3-4-10-6-9(2)12(13)7-11(10)5-8/h3-7H,1-2H3
InChIKeyXZRWIXHAXPSOTN-UHFFFAOYSA-N
MW190.67 g/mol
LogP4.11
Rot. Bonds

About 3-chloro-2,6-dimethylnaphthalene

3-chloro-2,6-dimethylnaphthalene (PubChem CID 138458310) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 3-chloro-2,6-dimethylnaphthalene.

Molecular Properties

Compound Name3-chloro-2,6-dimethylnaphthalene
PubChem CID138458310
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name3-chloro-2,6-dimethylnaphthalene
SMILESCc1ccc2cc(C)c(Cl)cc2c1
InChIInChI=1S/C12H11Cl/c1-8-3-4-10-6-9(2)12(13)7-11(10)5-8/h3-7H,1-2H3
InChIKeyXZRWIXHAXPSOTN-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,6-dimethylnaphthalene?
The IUPAC name of 3-chloro-2,6-dimethylnaphthalene (CID 138458310) is 3-chloro-2,6-dimethylnaphthalene.
What is the SMILES notation for 3-chloro-2,6-dimethylnaphthalene?
The canonical SMILES for 3-chloro-2,6-dimethylnaphthalene is Cc1ccc2cc(C)c(Cl)cc2c1.
What is the InChIKey of 3-chloro-2,6-dimethylnaphthalene?
The InChIKey is XZRWIXHAXPSOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c1-8-3-4-10-6-9(2)12(13)7-11(10)5-8/h3-7H,1-2H3.
What are the key properties of 3-chloro-2,6-dimethylnaphthalene?
3-chloro-2,6-dimethylnaphthalene has a molecular weight of 190.67 g/mol, XLogP of 4.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,6-dimethylnaphthalene is sourced from PubChem (CID 138458310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).