1-chloro-2,3-dimethylnaphthalene

C12H11Cl — CID 21393770

IUPAC1-chloro-2,3-dimethylnaphthalene
SMILESCc1cc2ccccc2c(Cl)c1C
InChIInChI=1S/C12H11Cl/c1-8-7-10-5-3-4-6-11(10)12(13)9(8)2/h3-7H,1-2H3
InChIKeyRQSYJHGXUKIYOQ-UHFFFAOYSA-N
MW190.67 g/mol
LogP4.11
Rot. Bonds

About 1-chloro-2,3-dimethylnaphthalene

1-chloro-2,3-dimethylnaphthalene (PubChem CID 21393770) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-2,3-dimethylnaphthalene.

Molecular Properties

Compound Name1-chloro-2,3-dimethylnaphthalene
PubChem CID21393770
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name1-chloro-2,3-dimethylnaphthalene
SMILESCc1cc2ccccc2c(Cl)c1C
InChIInChI=1S/C12H11Cl/c1-8-7-10-5-3-4-6-11(10)12(13)9(8)2/h3-7H,1-2H3
InChIKeyRQSYJHGXUKIYOQ-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 1-chloro-2,3-dimethylnaphthalene?
The IUPAC name of 1-chloro-2,3-dimethylnaphthalene (CID 21393770) is 1-chloro-2,3-dimethylnaphthalene.
What is the SMILES notation for 1-chloro-2,3-dimethylnaphthalene?
The canonical SMILES for 1-chloro-2,3-dimethylnaphthalene is Cc1cc2ccccc2c(Cl)c1C.
What is the InChIKey of 1-chloro-2,3-dimethylnaphthalene?
The InChIKey is RQSYJHGXUKIYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c1-8-7-10-5-3-4-6-11(10)12(13)9(8)2/h3-7H,1-2H3.
What are the key properties of 1-chloro-2,3-dimethylnaphthalene?
1-chloro-2,3-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 1-chloro-2,3-dimethylnaphthalene is sourced from PubChem (CID 21393770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).