1-chloro-2-ethenyl-3-methylnaphthalene

C13H11Cl — CID 67126076

IUPAC1-chloro-2-ethenyl-3-methylnaphthalene
SMILESC=Cc1c(C)cc2ccccc2c1Cl
InChIInChI=1S/C13H11Cl/c1-3-11-9(2)8-10-6-4-5-7-12(10)13(11)14/h3-8H,1H2,2H3
InChIKeyCUIQPHAYONAPEY-UHFFFAOYSA-N
MW202.68 g/mol
LogP4.44
Rot. Bonds1

About 1-chloro-2-ethenyl-3-methylnaphthalene

1-chloro-2-ethenyl-3-methylnaphthalene (PubChem CID 67126076) has the molecular formula C13H11Cl and a molecular weight of 202.68 g/mol. Its IUPAC name is 1-chloro-2-ethenyl-3-methylnaphthalene.

Molecular Properties

Compound Name1-chloro-2-ethenyl-3-methylnaphthalene
PubChem CID67126076
Molecular FormulaC13H11Cl
Molecular Weight202.68 g/mol
Exact Mass202.05
IUPAC Name1-chloro-2-ethenyl-3-methylnaphthalene
SMILESC=Cc1c(C)cc2ccccc2c1Cl
InChIInChI=1S/C13H11Cl/c1-3-11-9(2)8-10-6-4-5-7-12(10)13(11)14/h3-8H,1H2,2H3
InChIKeyCUIQPHAYONAPEY-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.68
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-ethenyl-3-methylnaphthalene?
The IUPAC name of 1-chloro-2-ethenyl-3-methylnaphthalene (CID 67126076) is 1-chloro-2-ethenyl-3-methylnaphthalene.
What is the SMILES notation for 1-chloro-2-ethenyl-3-methylnaphthalene?
The canonical SMILES for 1-chloro-2-ethenyl-3-methylnaphthalene is C=Cc1c(C)cc2ccccc2c1Cl.
What is the InChIKey of 1-chloro-2-ethenyl-3-methylnaphthalene?
The InChIKey is CUIQPHAYONAPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11Cl/c1-3-11-9(2)8-10-6-4-5-7-12(10)13(11)14/h3-8H,1H2,2H3.
What are the key properties of 1-chloro-2-ethenyl-3-methylnaphthalene?
1-chloro-2-ethenyl-3-methylnaphthalene has a molecular weight of 202.68 g/mol, XLogP of 4.44, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-ethenyl-3-methylnaphthalene is sourced from PubChem (CID 67126076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).