1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene

C17H18BrCl — CID 79597680

IUPAC1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
SMILESClc1ccc(C(Br)CC2CCCC2)c2ccccc12
InChIInChI=1S/C17H18BrCl/c18-16(11-12-5-1-2-6-12)14-9-10-17(19)15-8-4-3-7-13(14)15/h3-4,7-10,12,16H,1-2,5-6,11H2
InChIKeyXAAJOHNOBXQICA-UHFFFAOYSA-N
MW337.69 g/mol
LogP6.51
Rot. Bonds3

About 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene

1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene (PubChem CID 79597680) has the molecular formula C17H18BrCl and a molecular weight of 337.69 g/mol. Its IUPAC name is 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene.

Molecular Properties

Compound Name1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
PubChem CID79597680
Molecular FormulaC17H18BrCl
Molecular Weight337.69 g/mol
Exact Mass336.03
IUPAC Name1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
SMILESClc1ccc(C(Br)CC2CCCC2)c2ccccc12
InChIInChI=1S/C17H18BrCl/c18-16(11-12-5-1-2-6-12)14-9-10-17(19)15-8-4-3-7-13(14)15/h3-4,7-10,12,16H,1-2,5-6,11H2
InChIKeyXAAJOHNOBXQICA-UHFFFAOYSA-N
XLogP6.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.69
LogP ≤ 56.51
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

1-(1-bromo-2-cyclobutylethyl)-4-methoxynaphthalene
CID 103165718
1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
CID 79596753
2-(1-bromo-2-cyclopropylethyl)-1,4-dichlorobenzene
CID 63444578
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
1-[1-bromo-2-(4-bromophenyl)ethyl]-4-chloronaphthalene
CID 79593048
1-(1-bromo-2-cyclohexylethyl)-2,4-difluorobenzene
CID 63442452
[2-bromo-2-(2,4-difluorophenyl)ethyl]cycloheptane
CID 114458717
7-bromo-3-(1-bromo-2-cyclohexylethyl)-1-benzothiophene
CID 81147613
2-[bromo-(4-chloronaphthalen-1-yl)methyl]-5-methyloxolane
CID 81327702
1-(1-bromo-2,2-dimethylpropyl)-4-chloronaphthalene
CID 79597822

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene?
The IUPAC name of 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene (CID 79597680) is 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene.
What is the SMILES notation for 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene?
The canonical SMILES for 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene is Clc1ccc(C(Br)CC2CCCC2)c2ccccc12.
What is the InChIKey of 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene?
The InChIKey is XAAJOHNOBXQICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrCl/c18-16(11-12-5-1-2-6-12)14-9-10-17(19)15-8-4-3-7-13(14)15/h3-4,7-10,12,16H,1-2,5-6,11H2.
What are the key properties of 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene?
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene has a molecular weight of 337.69 g/mol, XLogP of 6.51, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene is sourced from PubChem (CID 79597680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).