1-(2-chloroethyl)naphthalene

C12H11Cl — CID 3540711

IUPAC1-(2-chloroethyl)naphthalene
SMILESClCCc1cccc2ccccc12
InChIInChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyCOIBFCUQUWJKEN-UHFFFAOYSA-N
MW190.67 g/mol
LogP3.62
Rot. Bonds2

About 1-(2-chloroethyl)naphthalene

1-(2-chloroethyl)naphthalene (PubChem CID 3540711) has the molecular formula C12H11Cl and a molecular weight of 190.67 g/mol. Its IUPAC name is 1-(2-chloroethyl)naphthalene.

Molecular Properties

Compound Name1-(2-chloroethyl)naphthalene
PubChem CID3540711
Molecular FormulaC12H11Cl
Molecular Weight190.67 g/mol
Exact Mass190.05
IUPAC Name1-(2-chloroethyl)naphthalene
SMILESClCCc1cccc2ccccc12
InChIInChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2
InChIKeyCOIBFCUQUWJKEN-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.67
LogP ≤ 53.62
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-(2-chloroethyl)naphthalene?
The IUPAC name of 1-(2-chloroethyl)naphthalene (CID 3540711) is 1-(2-chloroethyl)naphthalene.
What is the SMILES notation for 1-(2-chloroethyl)naphthalene?
The canonical SMILES for 1-(2-chloroethyl)naphthalene is ClCCc1cccc2ccccc12.
What is the InChIKey of 1-(2-chloroethyl)naphthalene?
The InChIKey is COIBFCUQUWJKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl/c13-9-8-11-6-3-5-10-4-1-2-7-12(10)11/h1-7H,8-9H2.
What are the key properties of 1-(2-chloroethyl)naphthalene?
1-(2-chloroethyl)naphthalene has a molecular weight of 190.67 g/mol, XLogP of 3.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroethyl)naphthalene is sourced from PubChem (CID 3540711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).