2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene

C18H21Cl — CID 107183500

IUPAC2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
SMILESCC1CCCC1C(Cl)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21Cl/c1-13-5-4-8-17(13)18(19)12-14-9-10-15-6-2-3-7-16(15)11-14/h2-3,6-7,9-11,13,17-18H,4-5,8,12H2,1H3
InChIKeyOUCQJBBUCGYBBW-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.43
Rot. Bonds3

About 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene

2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene (PubChem CID 107183500) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene.

Molecular Properties

Compound Name2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
PubChem CID107183500
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene
SMILESCC1CCCC1C(Cl)Cc1ccc2ccccc2c1
InChIInChI=1S/C18H21Cl/c1-13-5-4-8-17(13)18(19)12-14-9-10-15-6-2-3-7-16(15)11-14/h2-3,6-7,9-11,13,17-18H,4-5,8,12H2,1H3
InChIKeyOUCQJBBUCGYBBW-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.82
LogP ≤ 55.43
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-bromo-3-[2-chloro-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183607
2-(2-cyclobutyl-3-naphthalen-2-ylpropyl)naphthalene
CID 57017879
1-(2-methylcyclopropyl)-2-naphthalen-2-ylethanamine
CID 61079933
2-(2-bromo-2-cyclopentylethyl)naphthalene
CID 63543408
2-(2-chlorobutyl)naphthalene
CID 21490588
1-bromo-3-[2-bromo-2-(2-methylcyclopentyl)ethyl]benzene
CID 107183721
2-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]naphthalene
CID 107183620
1-benzyl-4-[chloro-(2-methylcyclopentyl)methyl]benzene
CID 107182438
1-[chloro-(2-methylcyclopentyl)methyl]naphthalene
CID 107182429
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
CID 63519319
2-[2-(cyclohexylmethyl)-3-methylpentyl]naphthalene
CID 57064736
1-chloro-2-[2-chloro-2-(2-methylcyclopentyl)ethyl]-3-fluorobenzene
CID 107183519

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene?
The IUPAC name of 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene (CID 107183500) is 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene.
What is the SMILES notation for 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene?
The canonical SMILES for 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene is CC1CCCC1C(Cl)Cc1ccc2ccccc2c1.
What is the InChIKey of 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene?
The InChIKey is OUCQJBBUCGYBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c1-13-5-4-8-17(13)18(19)12-14-9-10-15-6-2-3-7-16(15)11-14/h2-3,6-7,9-11,13,17-18H,4-5,8,12H2,1H3.
What are the key properties of 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene?
2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene has a molecular weight of 272.82 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-2-(2-methylcyclopentyl)ethyl]naphthalene is sourced from PubChem (CID 107183500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).