1-chloro-2,7-dimethylnaphthalene

C12H11Cl — CID 71381689

IUPAC1-chloro-2,7-dimethylnaphthalene
SMILESCc1ccc2ccc(C)c(Cl)c2c1
InChIInChI=1S/C12H11Cl/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8/h3-7H,1-2H3
InChIKeyHZLDBTLITWPBEB-UHFFFAOYSA-N
MW190.67 g/mol
LogP4.11
Rot. Bonds

About 1-chloro-2,7-dimethylnaphthalene

1-chloro-2,7-dimethylnaphthalene (PubChem CID 71381689) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-chloro-2,7-dimethylnaphthalene.

Molecular Properties

Compound Name1-chloro-2,7-dimethylnaphthalene
PubChem CID71381689
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name1-chloro-2,7-dimethylnaphthalene
SMILESCc1ccc2ccc(C)c(Cl)c2c1
InChIInChI=1S/C12H11Cl/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8/h3-7H,1-2H3
InChIKeyHZLDBTLITWPBEB-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-2,7-dimethylnaphthalene?
The IUPAC name of 1-chloro-2,7-dimethylnaphthalene (CID 71381689) is 1-chloro-2,7-dimethylnaphthalene.
What is the SMILES notation for 1-chloro-2,7-dimethylnaphthalene?
The canonical SMILES for 1-chloro-2,7-dimethylnaphthalene is Cc1ccc2ccc(C)c(Cl)c2c1.
What is the InChIKey of 1-chloro-2,7-dimethylnaphthalene?
The InChIKey is HZLDBTLITWPBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c1-8-3-5-10-6-4-9(2)12(13)11(10)7-8/h3-7H,1-2H3.
What are the key properties of 1-chloro-2,7-dimethylnaphthalene?
1-chloro-2,7-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-2,7-dimethylnaphthalene is sourced from PubChem (CID 71381689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).