2-(bromomethyl)-7-methylnaphthalene

C12H11Br — CID 13426568

IUPAC2-(bromomethyl)-7-methylnaphthalene
SMILESCc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C12H11Br/c1-9-2-4-11-5-3-10(8-13)7-12(11)6-9/h2-7H,8H2,1H3
InChIKeyLHMXZPSETPCSJZ-UHFFFAOYSA-N
MW235.12 g/mol
LogP4.04
Rot. Bonds1

About 2-(bromomethyl)-7-methylnaphthalene

2-(bromomethyl)-7-methylnaphthalene (PubChem CID 13426568) has the molecular formula C12H11Br and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-(bromomethyl)-7-methylnaphthalene.

Molecular Properties

Compound Name2-(bromomethyl)-7-methylnaphthalene
PubChem CID13426568
Molecular FormulaC12H11Br
Molecular Weight235.12 g/mol
Exact Mass234.00
IUPAC Name2-(bromomethyl)-7-methylnaphthalene
SMILESCc1ccc2ccc(CBr)cc2c1
InChIInChI=1S/C12H11Br/c1-9-2-4-11-5-3-10(8-13)7-12(11)6-9/h2-7H,8H2,1H3
InChIKeyLHMXZPSETPCSJZ-UHFFFAOYSA-N
XLogP4.04
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 ≤ 54.04
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-(bromomethyl)-7-methylnaphthalene?
The IUPAC name of 2-(bromomethyl)-7-methylnaphthalene (CID 13426568) is 2-(bromomethyl)-7-methylnaphthalene.
What is the SMILES notation for 2-(bromomethyl)-7-methylnaphthalene?
The canonical SMILES for 2-(bromomethyl)-7-methylnaphthalene is Cc1ccc2ccc(CBr)cc2c1.
What is the InChIKey of 2-(bromomethyl)-7-methylnaphthalene?
The InChIKey is LHMXZPSETPCSJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Br/c1-9-2-4-11-5-3-10(8-13)7-12(11)6-9/h2-7H,8H2,1H3.
What are the key properties of 2-(bromomethyl)-7-methylnaphthalene?
2-(bromomethyl)-7-methylnaphthalene has a molecular weight of 235.12 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-7-methylnaphthalene is sourced from PubChem (CID 13426568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).