1-(3-chloro-2-cyclopentylpropyl)naphthalene

C18H21Cl — CID 112570471

IUPAC1-(3-chloro-2-cyclopentylpropyl)naphthalene
SMILESClCC(Cc1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C18H21Cl/c19-13-17(14-6-1-2-7-14)12-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14,17H,1-2,6-7,12-13H2
InChIKeyYRLLPBMCACYNMT-UHFFFAOYSA-N
MW272.82 g/mol
LogP5.43
Rot. Bonds4

About 1-(3-chloro-2-cyclopentylpropyl)naphthalene

1-(3-chloro-2-cyclopentylpropyl)naphthalene (PubChem CID 112570471) has the molecular formula C18H21Cl and a molecular weight of 272.82 g/mol. Its IUPAC name is 1-(3-chloro-2-cyclopentylpropyl)naphthalene.

Molecular Properties

Compound Name1-(3-chloro-2-cyclopentylpropyl)naphthalene
PubChem CID112570471
Molecular FormulaC18H21Cl
Molecular Weight272.82 g/mol
Exact Mass272.13
IUPAC Name1-(3-chloro-2-cyclopentylpropyl)naphthalene
SMILESClCC(Cc1cccc2ccccc12)C1CCCC1
InChIInChI=1S/C18H21Cl/c19-13-17(14-6-1-2-7-14)12-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14,17H,1-2,6-7,12-13H2
InChIKeyYRLLPBMCACYNMT-UHFFFAOYSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
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-(2-bromophenyl)-3-chloropropan-2-yl]cycloheptane
CID 82945808
(1-cyclohexyl-2-naphthalen-1-ylethyl)hydrazine
CID 105201891
1-(2-bromo-3-cycloheptylpropyl)naphthalene
CID 114458974
(1-cyclopentylsulfanyl-3-naphthalen-1-ylpropan-2-yl)hydrazine
CID 105227571
N-(naphthalen-1-ylmethyl)cycloheptanamine;hydrochloride
CID 17294536
1-[2-(chloromethyl)butyl]naphthalene
CID 66034781
1-cyclohexyl-N-(naphthalen-1-ylmethyl)ethanamine
CID 63477824
1-cyclopentyl-3-naphthalen-1-ylpropan-2-one
CID 61055471
2-naphthalen-1-yl-1-(oxan-2-yl)ethanol
CID 115784699
1-(4-methylcyclohexyl)-2-naphthalen-1-ylethanol
CID 63411216
2-bromo-5-(3-chloro-2-cyclopentylpropyl)thiophene
CID 112570449
1-(2-chloropropyl)naphthalene
CID 12809422

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-cyclopentylpropyl)naphthalene?
The IUPAC name of 1-(3-chloro-2-cyclopentylpropyl)naphthalene (CID 112570471) is 1-(3-chloro-2-cyclopentylpropyl)naphthalene.
What is the SMILES notation for 1-(3-chloro-2-cyclopentylpropyl)naphthalene?
The canonical SMILES for 1-(3-chloro-2-cyclopentylpropyl)naphthalene is ClCC(Cc1cccc2ccccc12)C1CCCC1.
What is the InChIKey of 1-(3-chloro-2-cyclopentylpropyl)naphthalene?
The InChIKey is YRLLPBMCACYNMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl/c19-13-17(14-6-1-2-7-14)12-16-10-5-9-15-8-3-4-11-18(15)16/h3-5,8-11,14,17H,1-2,6-7,12-13H2.
What are the key properties of 1-(3-chloro-2-cyclopentylpropyl)naphthalene?
1-(3-chloro-2-cyclopentylpropyl)naphthalene has a molecular weight of 272.82 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-cyclopentylpropyl)naphthalene is sourced from PubChem (CID 112570471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).