1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene

C12H15Br — CID 63514071

IUPAC1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)C(Br)CCC2
InChIInChI=1S/C12H15Br/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5H2,1H3
InChIKeyRIUCUVKEROCVIE-UHFFFAOYSA-N
MW239.16 g/mol
LogP4.02
Rot. Bonds1

About 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene

1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 63514071) has the molecular formula C12H15Br and a molecular weight of 239.16 g/mol. Its IUPAC name is 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
PubChem CID63514071
Molecular FormulaC12H15Br
Molecular Weight239.16 g/mol
Exact Mass238.04
IUPAC Name1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene
SMILESCCc1ccc2c(c1)C(Br)CCC2
InChIInChI=1S/C12H15Br/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5H2,1H3
InChIKeyRIUCUVKEROCVIE-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.16
LogP ≤ 54.02
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

(1S)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 21104537
5-bromo-3-ethyl-7-methyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 63514254
2-[(1R)-7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl]ethanamine
CID 67627169
2-(7-ethyl-1,2,3,4-tetrahydronaphthalen-1-yl)ethanamine
CID 15816636
1-bromo-7-tert-butyl-1,2,3,4-tetrahydronaphthalene
CID 63513898
5-bromo-3-(2-methylbutan-2-yl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 66257860
(1R)-6-ethyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 131884185
3-ethyl-N-propyl-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-amine
CID 63512839
6-ethyl-2,3-dihydro-1H-indene-1-carbonitrile
CID 82074815
N-ethyl-7-propyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 62737677
(1S)-7-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 79014495
7-butyl-1-chloro-1,2,3,4-tetrahydronaphthalene
CID 63514769

Frequently Asked Questions

What is the IUPAC name of 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene (CID 63514071) is 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene is CCc1ccc2c(c1)C(Br)CCC2.
What is the InChIKey of 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is RIUCUVKEROCVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Br/c1-2-9-6-7-10-4-3-5-12(13)11(10)8-9/h6-8,12H,2-5H2,1H3.
What are the key properties of 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene?
1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 239.16 g/mol, XLogP of 4.02, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-7-ethyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 63514071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).