3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene

C16H19BrO2 — CID 174604990

IUPAC3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene
SMILESCOCCCOc1cc(CCBr)cc2ccccc12
InChIInChI=1S/C16H19BrO2/c1-18-9-4-10-19-16-12-13(7-8-17)11-14-5-2-3-6-15(14)16/h2-3,5-6,11-12H,4,7-10H2,1H3
InChIKeyAEKPUEBTZALXOI-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.19
Rot. Bonds7

About 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene

3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene (PubChem CID 174604990) has the molecular formula C16H19BrO2 and a molecular weight of 323.23 g/mol. Its IUPAC name is 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene.

Molecular Properties

Compound Name3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene
PubChem CID174604990
Molecular FormulaC16H19BrO2
Molecular Weight323.23 g/mol
Exact Mass322.06
IUPAC Name3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene
SMILESCOCCCOc1cc(CCBr)cc2ccccc12
InChIInChI=1S/C16H19BrO2/c1-18-9-4-10-19-16-12-13(7-8-17)11-14-5-2-3-6-15(14)16/h2-3,5-6,11-12H,4,7-10H2,1H3
InChIKeyAEKPUEBTZALXOI-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

3-(bromomethyl)-1-(3-methoxypropyl)naphthalene
CID 67542320
1-[2-(3-methoxypropoxy)ethoxy]naphthalene
CID 103184395
1-(3-bromopropoxy)-3-[(4-methoxyphenyl)methylsulfanyl]naphthalene
CID 151730375
[2-(3-methoxypropoxy)naphthalen-1-yl]boronic acid
CID 54911339
(2R)-N-cyclopropyl-N-[[4-(3-methoxypropoxy)naphthalen-2-yl]methyl]morpholine-2-carboxamide
CID 59494191
4-(3-methoxypropoxy)quinoline-2-carboxylic acid
CID 55184879
[1-(3-methoxypropoxy)isoquinolin-3-yl]methanol
CID 61258186
1-(chloromethyl)-2-(4-methoxybutoxy)naphthalene
CID 104648105
1,4-diethylbenzene;methane;bis(1-(2-methoxyethoxy)naphthalene)
CID 162153615
1-(4-methoxybutyl)naphthalene
CID 69278949
1-(2-bromoethyl)-3-methoxynaphthalene
CID 174397212
7-(6-bromo-3-methylhexyl)-1-(2-methoxyethoxy)naphthalene
CID 174519513

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene?
The IUPAC name of 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene (CID 174604990) is 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene.
What is the SMILES notation for 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene?
The canonical SMILES for 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene is COCCCOc1cc(CCBr)cc2ccccc12.
What is the InChIKey of 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene?
The InChIKey is AEKPUEBTZALXOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrO2/c1-18-9-4-10-19-16-12-13(7-8-17)11-14-5-2-3-6-15(14)16/h2-3,5-6,11-12H,4,7-10H2,1H3.
What are the key properties of 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene?
3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene has a molecular weight of 323.23 g/mol, XLogP of 4.19, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)-1-(3-methoxypropoxy)naphthalene is sourced from PubChem (CID 174604990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).