2-(1-bromoethyl)naphthalene

C12H11Br — CID 18678254

IUPAC2-(1-bromoethyl)naphthalene
SMILESCC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C12H11Br/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyZUVXJTQVUPLBJS-UHFFFAOYSA-N
MW235.12 g/mol
LogP4.30
Rot. Bonds1

About 2-(1-bromoethyl)naphthalene

2-(1-bromoethyl)naphthalene (PubChem CID 18678254) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-(1-bromoethyl)naphthalene.

Molecular Properties

Compound Name2-(1-bromoethyl)naphthalene
PubChem CID18678254
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name2-(1-bromoethyl)naphthalene
SMILESCC(Br)c1ccc2ccccc2c1
InChIInChI=1S/C12H11Br/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3
InChIKeyZUVXJTQVUPLBJS-UHFFFAOYSA-N
XLogP4.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 54.30
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 2-(1-bromoethyl)naphthalene?
The IUPAC name of 2-(1-bromoethyl)naphthalene (CID 18678254) is 2-(1-bromoethyl)naphthalene.
What is the SMILES notation for 2-(1-bromoethyl)naphthalene?
The canonical SMILES for 2-(1-bromoethyl)naphthalene is CC(Br)c1ccc2ccccc2c1.
What is the InChIKey of 2-(1-bromoethyl)naphthalene?
The InChIKey is ZUVXJTQVUPLBJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c1-9(13)11-7-6-10-4-2-3-5-12(10)8-11/h2-9H,1H3.
What are the key properties of 2-(1-bromoethyl)naphthalene?
2-(1-bromoethyl)naphthalene has a molecular weight of 235.12 g/mol, XLogP of 4.30, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromoethyl)naphthalene is sourced from PubChem (CID 18678254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).