1-chloro-7-ethenylnaphthalene

C12H9Cl — CID 54488465

IUPAC1-chloro-7-ethenylnaphthalene
SMILESC=Cc1ccc2cccc(Cl)c2c1
InChIInChI=1S/C12H9Cl/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h2-8H,1H2
InChIKeyIXWILPMFENUVTH-UHFFFAOYSA-N
MW188.66 g/mol
LogP4.14
Rot. Bonds1

About 1-chloro-7-ethenylnaphthalene

1-chloro-7-ethenylnaphthalene (PubChem CID 54488465) has the molecular formula C12H9Cl and a molecular weight of 188.66 g/mol. Its IUPAC name is 1-chloro-7-ethenylnaphthalene.

Molecular Properties

Compound Name1-chloro-7-ethenylnaphthalene
PubChem CID54488465
Molecular FormulaC12H9Cl
Molecular Weight188.66 g/mol
Exact Mass188.04
IUPAC Name1-chloro-7-ethenylnaphthalene
SMILESC=Cc1ccc2cccc(Cl)c2c1
InChIInChI=1S/C12H9Cl/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h2-8H,1H2
InChIKeyIXWILPMFENUVTH-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-ethenylnaphthalene?
The IUPAC name of 1-chloro-7-ethenylnaphthalene (CID 54488465) is 1-chloro-7-ethenylnaphthalene.
What is the SMILES notation for 1-chloro-7-ethenylnaphthalene?
The canonical SMILES for 1-chloro-7-ethenylnaphthalene is C=Cc1ccc2cccc(Cl)c2c1.
What is the InChIKey of 1-chloro-7-ethenylnaphthalene?
The InChIKey is IXWILPMFENUVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Cl/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h2-8H,1H2.
What are the key properties of 1-chloro-7-ethenylnaphthalene?
1-chloro-7-ethenylnaphthalene has a molecular weight of 188.66 g/mol, XLogP of 4.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-ethenylnaphthalene is sourced from PubChem (CID 54488465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).