2-(2-bromoethoxy)naphthalene

C12H11BrO — CID 640692

IUPAC2-(2-bromoethoxy)naphthalene
SMILESBrCCOc1ccc2ccccc2c1
InChIInChI=1S/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyNKALVESVNGTFHZ-UHFFFAOYSA-N
MW251.12 g/mol
LogP3.61
Rot. Bonds3

About 2-(2-bromoethoxy)naphthalene

2-(2-bromoethoxy)naphthalene (PubChem CID 640692) has the molecular formula C12H11BrO and a molecular weight of 251.12 g/mol. Its IUPAC name is 2-(2-bromoethoxy)naphthalene.

Molecular Properties

Compound Name2-(2-bromoethoxy)naphthalene
PubChem CID640692
Molecular FormulaC12H11BrO
Molecular Weight251.12 g/mol
Exact Mass250.00
IUPAC Name2-(2-bromoethoxy)naphthalene
SMILESBrCCOc1ccc2ccccc2c1
InChIInChI=1S/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2
InChIKeyNKALVESVNGTFHZ-UHFFFAOYSA-N
XLogP3.61
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.12
LogP ≤ 53.61
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 2-(2-bromoethoxy)naphthalene?
The IUPAC name of 2-(2-bromoethoxy)naphthalene (CID 640692) is 2-(2-bromoethoxy)naphthalene.
What is the SMILES notation for 2-(2-bromoethoxy)naphthalene?
The canonical SMILES for 2-(2-bromoethoxy)naphthalene is BrCCOc1ccc2ccccc2c1.
What is the InChIKey of 2-(2-bromoethoxy)naphthalene?
The InChIKey is NKALVESVNGTFHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrO/c13-7-8-14-12-6-5-10-3-1-2-4-11(10)9-12/h1-6,9H,7-8H2.
What are the key properties of 2-(2-bromoethoxy)naphthalene?
2-(2-bromoethoxy)naphthalene has a molecular weight of 251.12 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)naphthalene is sourced from PubChem (CID 640692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).