1-chloro-2-(chloromethyl)-6-ethenylnaphthalene

C13H10Cl2 — CID 66808425

IUPAC1-chloro-2-(chloromethyl)-6-ethenylnaphthalene
SMILESC=Cc1ccc2c(Cl)c(CCl)ccc2c1
InChIInChI=1S/C13H10Cl2/c1-2-9-3-6-12-10(7-9)4-5-11(8-14)13(12)15/h2-7H,1,8H2
InChIKeyKTNOGOIYGBLCOR-UHFFFAOYSA-N
MW237.13 g/mol
LogP4.88
Rot. Bonds2

About 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene

1-chloro-2-(chloromethyl)-6-ethenylnaphthalene (PubChem CID 66808425) has the molecular formula C13H10Cl2 and a molecular weight of 237.13 g/mol. Its IUPAC name is 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene.

Molecular Properties

Compound Name1-chloro-2-(chloromethyl)-6-ethenylnaphthalene
PubChem CID66808425
Molecular FormulaC13H10Cl2
Molecular Weight237.13 g/mol
Exact Mass236.02
IUPAC Name1-chloro-2-(chloromethyl)-6-ethenylnaphthalene
SMILESC=Cc1ccc2c(Cl)c(CCl)ccc2c1
InChIInChI=1S/C13H10Cl2/c1-2-9-3-6-12-10(7-9)4-5-11(8-14)13(12)15/h2-7H,1,8H2
InChIKeyKTNOGOIYGBLCOR-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.13
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene?
The IUPAC name of 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene (CID 66808425) is 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene.
What is the SMILES notation for 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene?
The canonical SMILES for 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene is C=Cc1ccc2c(Cl)c(CCl)ccc2c1.
What is the InChIKey of 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene?
The InChIKey is KTNOGOIYGBLCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2/c1-2-9-3-6-12-10(7-9)4-5-11(8-14)13(12)15/h2-7H,1,8H2.
What are the key properties of 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene?
1-chloro-2-(chloromethyl)-6-ethenylnaphthalene has a molecular weight of 237.13 g/mol, XLogP of 4.88, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-(chloromethyl)-6-ethenylnaphthalene is sourced from PubChem (CID 66808425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).