1-[chloro-(2-methylcyclopentyl)methyl]naphthalene

C17H19Cl — CID 107182429

IUPAC1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
SMILESCC1CCCC1C(Cl)c1cccc2ccccc12
InChIInChI=1S/C17H19Cl/c1-12-6-4-10-14(12)17(18)16-11-5-8-13-7-2-3-9-15(13)16/h2-3,5,7-9,11-12,14,17H,4,6,10H2,1H3
InChIKeyHGSPIERZOXOEPT-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.56
Rot. Bonds2

About 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene

1-[chloro-(2-methylcyclopentyl)methyl]naphthalene (PubChem CID 107182429) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene.

Molecular Properties

Compound Name1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
PubChem CID107182429
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
SMILESCC1CCCC1C(Cl)c1cccc2ccccc12
InChIInChI=1S/C17H19Cl/c1-12-6-4-10-14(12)17(18)16-11-5-8-13-7-2-3-9-15(13)16/h2-3,5,7-9,11-12,14,17H,4,6,10H2,1H3
InChIKeyHGSPIERZOXOEPT-UHFFFAOYSA-N
XLogP5.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.56
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-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
1-(1-chloro-2-cyclopropylpropyl)naphthalene
CID 83148466
2-(2-methylcyclohexyl)oxy-1-naphthalen-1-ylethanamine
CID 43094021
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
CID 107183500
(3-methylcyclohexyl)-naphthalen-1-ylmethanol
CID 63411173
2-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-naphthalen-1-ylethanol
CID 104968503
(R)-cyclobutyl(naphthalen-1-yl)methanamine;hydrochloride
CID 171212042
2-[chloro-(2-methylcyclopentyl)methyl]thiophene
CID 107181986
1-(3-chlorobutan-2-yl)naphthalene
CID 66471856
1-(3-chloropentan-2-yl)naphthalene
CID 79308301
[6-bicyclo[3.1.0]hexanyl(naphthalen-1-yl)methyl]hydrazine
CID 105301264
2-[cyclobutylmethyl(methyl)amino]-1-naphthalen-1-ylethanol
CID 62861024

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene?
The IUPAC name of 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene (CID 107182429) is 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene.
What is the SMILES notation for 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene?
The canonical SMILES for 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene is CC1CCCC1C(Cl)c1cccc2ccccc12.
What is the InChIKey of 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene?
The InChIKey is HGSPIERZOXOEPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c1-12-6-4-10-14(12)17(18)16-11-5-8-13-7-2-3-9-15(13)16/h2-3,5,7-9,11-12,14,17H,4,6,10H2,1H3.
What are the key properties of 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene?
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene has a molecular weight of 258.79 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2-methylcyclopentyl)methyl]naphthalene is sourced from PubChem (CID 107182429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).