3-(2-chloroethyl)-3-naphthalen-2-yloxetane

C15H15ClO — CID 116871549

IUPAC3-(2-chloroethyl)-3-naphthalen-2-yloxetane
SMILESClCCC1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C15H15ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2
InChIKeyLJTVXKFSGIHMSQ-UHFFFAOYSA-N
MW246.74 g/mol
LogP3.74
Rot. Bonds3

About 3-(2-chloroethyl)-3-naphthalen-2-yloxetane

3-(2-chloroethyl)-3-naphthalen-2-yloxetane (PubChem CID 116871549) has the molecular formula C15H15ClO and a molecular weight of 246.74 g/mol. Its IUPAC name is 3-(2-chloroethyl)-3-naphthalen-2-yloxetane.

Molecular Properties

Compound Name3-(2-chloroethyl)-3-naphthalen-2-yloxetane
PubChem CID116871549
Molecular FormulaC15H15ClO
Molecular Weight246.74 g/mol
Exact Mass246.08
IUPAC Name3-(2-chloroethyl)-3-naphthalen-2-yloxetane
SMILESClCCC1(c2ccc3ccccc3c2)COC1
InChIInChI=1S/C15H15ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2
InChIKeyLJTVXKFSGIHMSQ-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.74
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 3-(2-chloroethyl)-3-naphthalen-2-yloxetane?
The IUPAC name of 3-(2-chloroethyl)-3-naphthalen-2-yloxetane (CID 116871549) is 3-(2-chloroethyl)-3-naphthalen-2-yloxetane.
What is the SMILES notation for 3-(2-chloroethyl)-3-naphthalen-2-yloxetane?
The canonical SMILES for 3-(2-chloroethyl)-3-naphthalen-2-yloxetane is ClCCC1(c2ccc3ccccc3c2)COC1.
What is the InChIKey of 3-(2-chloroethyl)-3-naphthalen-2-yloxetane?
The InChIKey is LJTVXKFSGIHMSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO/c16-8-7-15(10-17-11-15)14-6-5-12-3-1-2-4-13(12)9-14/h1-6,9H,7-8,10-11H2.
What are the key properties of 3-(2-chloroethyl)-3-naphthalen-2-yloxetane?
3-(2-chloroethyl)-3-naphthalen-2-yloxetane has a molecular weight of 246.74 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloroethyl)-3-naphthalen-2-yloxetane is sourced from PubChem (CID 116871549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).