5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

C12H15BrO — CID 57052297

IUPAC5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2CCBr
InChIInChI=1S/C12H15BrO/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h2,4,6,9,14H,1,3,5,7-8H2
InChIKeyXVYPUUHXGZTFHA-UHFFFAOYSA-N
MW255.15 g/mol
LogP3.60
Rot. Bonds2

About 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol

5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (PubChem CID 57052297) has the molecular formula C12H15BrO and a molecular weight of 255.15 g/mol. Its IUPAC name is 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
PubChem CID57052297
Molecular FormulaC12H15BrO
Molecular Weight255.15 g/mol
Exact Mass254.03
IUPAC Name5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
SMILESOc1cccc2c1CCCC2CCBr
InChIInChI=1S/C12H15BrO/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h2,4,6,9,14H,1,3,5,7-8H2
InChIKeyXVYPUUHXGZTFHA-UHFFFAOYSA-N
XLogP3.60
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.15
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(isocyanatomethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 112709876
5-(pyrrolidin-2-ylmethyl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105490085
(1S)-5-hydroxy-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 86336246
2-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)ethyl carbamate
CID 175151033
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
1-[(cyclopentylamino)methyl]-2,3-dihydro-1H-inden-4-ol
CID 105490143
5-(1-hydroxy-2-methylpropan-2-yl)-5,6,7,8-tetrahydronaphthalen-1-ol
CID 105476149
carbanide;methanol;1,2,3,4-tetrahydronaphthalene-1,5-diol;titanium;titanium(2+)
CID 20637491
2-(5-fluoro-1,2,3,4-tetrahydronaphthalen-1-yl)-N-methylethanamine
CID 84620948
1-(bromomethyl)-1,2,3,4-tetrahydronaphthalene
CID 13067239
tert-butyl 3-(5-bromo-1,2,3,4-tetrahydronaphthalen-1-yl)propanoate
CID 167365314
5-(hydroxymethyl)-5,6,7,8-tetrahydronaphthalene-1-carboxylic acid
CID 105458622

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The IUPAC name of 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol (CID 57052297) is 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The canonical SMILES for 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is Oc1cccc2c1CCCC2CCBr.
What is the InChIKey of 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
The InChIKey is XVYPUUHXGZTFHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrO/c13-8-7-9-3-1-5-11-10(9)4-2-6-12(11)14/h2,4,6,9,14H,1,3,5,7-8H2.
What are the key properties of 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol?
5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol has a molecular weight of 255.15 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoethyl)-5,6,7,8-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 57052297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).