1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene

C16H23BrO — CID 55192835

IUPAC1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCOCCC1CCc2ccccc2C1Br
InChIInChI=1S/C16H23BrO/c1-2-3-11-18-12-10-14-9-8-13-6-4-5-7-15(13)16(14)17/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyOKKSTMYCQPUPQD-UHFFFAOYSA-N
MW311.26 g/mol
LogP4.89
Rot. Bonds6

About 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene

1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 55192835) has the molecular formula C16H23BrO and a molecular weight of 311.26 g/mol. Its IUPAC name is 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID55192835
Molecular FormulaC16H23BrO
Molecular Weight311.26 g/mol
Exact Mass310.09
IUPAC Name1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCOCCC1CCc2ccccc2C1Br
InChIInChI=1S/C16H23BrO/c1-2-3-11-18-12-10-14-9-8-13-6-4-5-7-15(13)16(14)17/h4-7,14,16H,2-3,8-12H2,1H3
InChIKeyOKKSTMYCQPUPQD-UHFFFAOYSA-N
XLogP4.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.26
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-(4-methoxybutyl)-1,2,3,4-tetrahydronaphthalene
CID 104649053
1-bromo-2-(3-methylsulfonylpropyl)-1,2,3,4-tetrahydronaphthalene
CID 63195866
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 104565816
2-butyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 10856608
N-(3-butoxypropyl)-2,3-dihydro-1H-inden-1-amine
CID 115704394
2-hexyl-1,2,3,4-tetrahydronaphthalen-1-ol
CID 63460691
5-chloro-6-(2-propoxyethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 106455999
1-chloro-2-propyl-1,2,3,4-tetrahydronaphthalene
CID 63460579
1-chloro-2-[2-(3-methylbutoxy)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 63459510
1-bromo-2-[(3,5-dimethylphenyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 63473353
2-ethyl-1-propyl-1,2,3,4-tetrahydronaphthalene
CID 59445158
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene (CID 55192835) is 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene is CCCCOCCC1CCc2ccccc2C1Br.
What is the InChIKey of 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is OKKSTMYCQPUPQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrO/c1-2-3-11-18-12-10-14-9-8-13-6-4-5-7-15(13)16(14)17/h4-7,14,16H,2-3,8-12H2,1H3.
What are the key properties of 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene?
1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 311.26 g/mol, XLogP of 4.89, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-(2-butoxyethyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 55192835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).