1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene

C19H23Cl — CID 107182433

IUPAC1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Cl)C2CCCC2(C)C)c2ccccc12
InChIInChI=1S/C19H23Cl/c1-13-10-11-16(15-8-5-4-7-14(13)15)18(20)17-9-6-12-19(17,2)3/h4-5,7-8,10-11,17-18H,6,9,12H2,1-3H3
InChIKeyXJEHUYQFQVNJBB-UHFFFAOYSA-N
MW286.85 g/mol
LogP6.25
Rot. Bonds2

About 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene

1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene (PubChem CID 107182433) has the molecular formula C19H23Cl and a molecular weight of 286.85 g/mol. Its IUPAC name is 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene.

Molecular Properties

Compound Name1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
PubChem CID107182433
Molecular FormulaC19H23Cl
Molecular Weight286.85 g/mol
Exact Mass286.15
IUPAC Name1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene
SMILESCc1ccc(C(Cl)C2CCCC2(C)C)c2ccccc12
InChIInChI=1S/C19H23Cl/c1-13-10-11-16(15-8-5-4-7-14(13)15)18(20)17-9-6-12-19(17,2)3/h4-5,7-8,10-11,17-18H,6,9,12H2,1-3H3
InChIKeyXJEHUYQFQVNJBB-UHFFFAOYSA-N
XLogP6.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.85
LogP ≤ 56.25
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-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-fluoronaphthalene
CID 107182393
(2,2-dimethylcyclopentyl)-(4-fluoronaphthalen-1-yl)methanol
CID 107181750
1-[bromo-(2,2-dimethylcyclohexyl)methyl]-4-chloronaphthalene
CID 107182469
(2,2-dimethylcyclopentyl)-(4-methoxynaphthalen-1-yl)methanol
CID 107181495
1-[bromo-(2,2-dimethylcyclopentyl)methyl]naphthalene
CID 107182431
4-[chloro-(2,2-dimethylcyclopentyl)methyl]-1,2-diethylbenzene
CID 107182565
1-bromo-5-chloro-3-[chloro-(2,2-dimethylcyclopentyl)methyl]-2-methoxybenzene
CID 107181907
2-bromo-1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-ethoxybenzene
CID 107182502
1-bromo-4-[chloro-(2,2-dimethylcyclopentyl)methyl]-2,5-dimethoxybenzene
CID 107182652
1-[chloro-(2,2-dimethylcyclohexyl)methyl]-4-(2-methylpropyl)benzene
CID 107181911
1-[2-bromo-2-(2,2-dimethylcyclopentyl)ethyl]-2-methylbenzene
CID 107183698
[1-(2,2-dimethylcyclopentyl)-2-naphthalen-1-ylethyl]hydrazine
CID 107193580

Frequently Asked Questions

What is the IUPAC name of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene?
The IUPAC name of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene (CID 107182433) is 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene.
What is the SMILES notation for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene?
The canonical SMILES for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene is Cc1ccc(C(Cl)C2CCCC2(C)C)c2ccccc12.
What is the InChIKey of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene?
The InChIKey is XJEHUYQFQVNJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23Cl/c1-13-10-11-16(15-8-5-4-7-14(13)15)18(20)17-9-6-12-19(17,2)3/h4-5,7-8,10-11,17-18H,6,9,12H2,1-3H3.
What are the key properties of 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene?
1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene has a molecular weight of 286.85 g/mol, XLogP of 6.25, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[chloro-(2,2-dimethylcyclopentyl)methyl]-4-methylnaphthalene is sourced from PubChem (CID 107182433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).