1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene

C16H16Cl2 — CID 79597392

IUPAC1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)C2CCCC2)c2ccccc12
InChIInChI=1S/C16H16Cl2/c17-15-10-9-14(12-7-3-4-8-13(12)15)16(18)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2
InChIKeyRENRSNROBLQUQX-UHFFFAOYSA-N
MW279.21 g/mol
LogP5.96
Rot. Bonds2

About 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene

1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene (PubChem CID 79597392) has the molecular formula C16H16Cl2 and a molecular weight of 279.21 g/mol. Its IUPAC name is 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene.

Molecular Properties

Compound Name1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
PubChem CID79597392
Molecular FormulaC16H16Cl2
Molecular Weight279.21 g/mol
Exact Mass278.06
IUPAC Name1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene
SMILESClc1ccc(C(Cl)C2CCCC2)c2ccccc12
InChIInChI=1S/C16H16Cl2/c17-15-10-9-14(12-7-3-4-8-13(12)15)16(18)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2
InChIKeyRENRSNROBLQUQX-UHFFFAOYSA-N
XLogP5.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.21
LogP ≤ 55.96
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

(4-chloronaphthalen-1-yl)-cyclohexylmethanamine
CID 79596753
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390
3-[chloro-(4-chloronaphthalen-1-yl)methyl]thiolane 1,1-dioxide
CID 79596837
1-chloro-2-[chloro(cyclohexyl)methyl]benzene
CID 86209125
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene
CID 79592811
1-[chloro(cyclopentyl)methyl]-2,3,4-trimethoxybenzene
CID 61084262
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
[chloro-(2-chloro-4-methoxyphenyl)methyl]cycloheptane
CID 55200253
(1S)-1-(4-chloronaphthalen-1-yl)ethanol
CID 82758359
3-[chloro(cyclohexyl)methyl]-1-benzothiophene;thionyl dichloride
CID 159655560
1-(4-chloronaphthalen-1-yl)-3-(oxan-2-yl)propan-1-amine
CID 79591927

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene?
The IUPAC name of 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene (CID 79597392) is 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene.
What is the SMILES notation for 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene?
The canonical SMILES for 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene is Clc1ccc(C(Cl)C2CCCC2)c2ccccc12.
What is the InChIKey of 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene?
The InChIKey is RENRSNROBLQUQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2/c17-15-10-9-14(12-7-3-4-8-13(12)15)16(18)11-5-1-2-6-11/h3-4,7-11,16H,1-2,5-6H2.
What are the key properties of 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene?
1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene has a molecular weight of 279.21 g/mol, XLogP of 5.96, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[chloro(cyclopentyl)methyl]naphthalene is sourced from PubChem (CID 79597392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).