2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene

C12H15Br — CID 15752629

IUPAC2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrCCC1CCc2ccccc2C1
InChIInChI=1S/C12H15Br/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-4,10H,5-9H2
InChIKeyQEXXRBYRJDXRED-UHFFFAOYSA-N
MW239.16 g/mol
LogP3.58
Rot. Bonds2

About 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene

2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 15752629) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID15752629
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene
SMILESBrCCC1CCc2ccccc2C1
InChIInChI=1S/C12H15Br/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-4,10H,5-9H2
InChIKeyQEXXRBYRJDXRED-UHFFFAOYSA-N
XLogP3.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-propyl-1,2,3,4-tetrahydronaphthalene
CID 13330225
3-(1,2,3,4-tetrahydronaphthalen-2-yl)propan-1-ol
CID 67879898
2-pentyl-1,2,3,4-tetrahydronaphthalene
CID 14298811
2-(2-methylsulfanylethyl)-1,2,3,4-tetrahydronaphthalene
CID 143252120
[(2S)-1,2,3,4-tetrahydronaphthalen-2-yl]methanamine
CID 86313684
2-(4-methylpentyl)-1,2,3,4-tetrahydronaphthalene
CID 102001272
(2S)-2-prop-2-enyl-1,2,3,4-tetrahydronaphthalene
CID 129383765
2-(methylsulfanylmethyl)-1,2,3,4-tetrahydronaphthalene
CID 130736237
1,2,3,4-tetrahydronaphthalen-2-ylmethylhydrazine
CID 107126485
benzene;1,2,3,4-tetrahydronaphthalen-2-amine
CID 66647094
1,2,3,4-tetrahydronaphthalen-2-amine;trihydrochloride
CID 67686398
N,N-dibenzyl-3-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 57205354

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene (CID 15752629) is 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene is BrCCC1CCc2ccccc2C1.
What is the InChIKey of 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is QEXXRBYRJDXRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c13-8-7-10-5-6-11-3-1-2-4-12(11)9-10/h1-4,10H,5-9H2.
What are the key properties of 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene?
2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 239.16 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 15752629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).