2-(2-bromo-2-cyclopentylethyl)naphthalene

C17H19Br — CID 63543408

IUPAC2-(2-bromo-2-cyclopentylethyl)naphthalene
SMILESBrC(Cc1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C17H19Br/c18-17(15-6-2-3-7-15)12-13-9-10-14-5-1-4-8-16(14)11-13/h1,4-5,8-11,15,17H,2-3,6-7,12H2
InChIKeyYWCOJZBIBZUTQN-UHFFFAOYSA-N
MW303.24 g/mol
LogP5.34
Rot. Bonds3

About 2-(2-bromo-2-cyclopentylethyl)naphthalene

2-(2-bromo-2-cyclopentylethyl)naphthalene (PubChem CID 63543408) has the molecular formula C17H19Br and a molecular weight of 303.24 g/mol. Its IUPAC name is 2-(2-bromo-2-cyclopentylethyl)naphthalene.

Molecular Properties

Compound Name2-(2-bromo-2-cyclopentylethyl)naphthalene
PubChem CID63543408
Molecular FormulaC17H19Br
Molecular Weight303.24 g/mol
Exact Mass302.07
IUPAC Name2-(2-bromo-2-cyclopentylethyl)naphthalene
SMILESBrC(Cc1ccc2ccccc2c1)C1CCCC1
InChIInChI=1S/C17H19Br/c18-17(15-6-2-3-7-15)12-13-9-10-14-5-1-4-8-16(14)11-13/h1,4-5,8-11,15,17H,2-3,6-7,12H2
InChIKeyYWCOJZBIBZUTQN-UHFFFAOYSA-N
XLogP5.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.24
LogP ≤ 55.34
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-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
2-(3-cyclohexyl-2-cyclopentylpropyl)naphthalene
CID 57267365
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
[1-bromo-2-(3-bromophenyl)ethyl]cycloheptane
CID 63531421
[1-bromo-2-(4-methoxyphenyl)ethyl]cyclooctane
CID 65020671
4-(2-bromo-2-cyclobutylethyl)-1,2-dimethylbenzene
CID 63543949
1-(2-bromo-2-cyclobutylethyl)-4-methoxybenzene
CID 63017637
4-(2-bromo-2-cyclopentylethyl)-1,2-dimethoxybenzene
CID 63017232
N-(2-bromo-2-cyclopropylethyl)-2-naphthalen-2-ylacetamide
CID 114315688
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
1-(2-bromo-2-cyclobutylethyl)-4-fluorobenzene
CID 63018171
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromo-2-cyclopentylethyl)naphthalene?
The IUPAC name of 2-(2-bromo-2-cyclopentylethyl)naphthalene (CID 63543408) is 2-(2-bromo-2-cyclopentylethyl)naphthalene.
What is the SMILES notation for 2-(2-bromo-2-cyclopentylethyl)naphthalene?
The canonical SMILES for 2-(2-bromo-2-cyclopentylethyl)naphthalene is BrC(Cc1ccc2ccccc2c1)C1CCCC1.
What is the InChIKey of 2-(2-bromo-2-cyclopentylethyl)naphthalene?
The InChIKey is YWCOJZBIBZUTQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Br/c18-17(15-6-2-3-7-15)12-13-9-10-14-5-1-4-8-16(14)11-13/h1,4-5,8-11,15,17H,2-3,6-7,12H2.
What are the key properties of 2-(2-bromo-2-cyclopentylethyl)naphthalene?
2-(2-bromo-2-cyclopentylethyl)naphthalene has a molecular weight of 303.24 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-2-cyclopentylethyl)naphthalene is sourced from PubChem (CID 63543408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).