1,8-dichloro-3-methylnaphthalene

C11H8Cl2 — CID 22970290

IUPAC1,8-dichloro-3-methylnaphthalene
SMILESCc1cc(Cl)c2c(Cl)cccc2c1
InChIInChI=1S/C11H8Cl2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3
InChIKeyAJCUPLHROHSDKQ-UHFFFAOYSA-N
MW211.09 g/mol
LogP4.46
Rot. Bonds

About 1,8-dichloro-3-methylnaphthalene

1,8-dichloro-3-methylnaphthalene (PubChem CID 22970290) has the molecular formula C11H8Cl2 and a molecular weight of 211.09 g/mol. Its IUPAC name is 1,8-dichloro-3-methylnaphthalene.

Molecular Properties

Compound Name1,8-dichloro-3-methylnaphthalene
PubChem CID22970290
Molecular FormulaC11H8Cl2
Molecular Weight211.09 g/mol
Exact Mass210.00
IUPAC Name1,8-dichloro-3-methylnaphthalene
SMILESCc1cc(Cl)c2c(Cl)cccc2c1
InChIInChI=1S/C11H8Cl2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3
InChIKeyAJCUPLHROHSDKQ-UHFFFAOYSA-N
XLogP4.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.09
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,8-dichloro-3-methylnaphthalene?
The IUPAC name of 1,8-dichloro-3-methylnaphthalene (CID 22970290) is 1,8-dichloro-3-methylnaphthalene.
What is the SMILES notation for 1,8-dichloro-3-methylnaphthalene?
The canonical SMILES for 1,8-dichloro-3-methylnaphthalene is Cc1cc(Cl)c2c(Cl)cccc2c1.
What is the InChIKey of 1,8-dichloro-3-methylnaphthalene?
The InChIKey is AJCUPLHROHSDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2/c1-7-5-8-3-2-4-9(12)11(8)10(13)6-7/h2-6H,1H3.
What are the key properties of 1,8-dichloro-3-methylnaphthalene?
1,8-dichloro-3-methylnaphthalene has a molecular weight of 211.09 g/mol, XLogP of 4.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dichloro-3-methylnaphthalene is sourced from PubChem (CID 22970290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).