1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene

C18H18Cl2 — CID 79592811

IUPAC1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene
SMILESClc1ccc(C(Cl)C2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C18H18Cl2/c19-17-8-7-15(13-3-1-2-4-14(13)17)18(20)16-10-11-5-6-12(16)9-11/h1-4,7-8,11-12,16,18H,5-6,9-10H2
InChIKeyRAXZMKKIYRBIMV-UHFFFAOYSA-N
MW305.25 g/mol
LogP6.21
Rot. Bonds2

About 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene

1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene (PubChem CID 79592811) has the molecular formula C18H18Cl2 and a molecular weight of 305.25 g/mol. Its IUPAC name is 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene.

Molecular Properties

Compound Name1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene
PubChem CID79592811
Molecular FormulaC18H18Cl2
Molecular Weight305.25 g/mol
Exact Mass304.08
IUPAC Name1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene
SMILESClc1ccc(C(Cl)C2CC3CCC2C3)c2ccccc12
InChIInChI=1S/C18H18Cl2/c19-17-8-7-15(13-3-1-2-4-14(13)17)18(20)16-10-11-5-6-12(16)9-11/h1-4,7-8,11-12,16,18H,5-6,9-10H2
InChIKeyRAXZMKKIYRBIMV-UHFFFAOYSA-N
XLogP6.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.25
LogP ≤ 56.21
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-4-[chloro(cyclopentyl)methyl]naphthalene
CID 79597392
1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene
CID 81430159
3-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2,5-dichlorothiophene
CID 63436563
3-[chloro-(4-chloronaphthalen-1-yl)methyl]thiolane 1,1-dioxide
CID 79596837
[2-bicyclo[2.2.1]heptanyl(naphthalen-1-yl)methyl]hydrazine
CID 105266833
2-bicyclo[2.2.1]heptanyl-(2,5-dichlorophenyl)methanol
CID 63426600
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879
2-[chloro-(2,5-dimethoxyphenyl)methyl]bicyclo[2.2.1]heptane
CID 63429581
(4-chloronaphthalen-1-yl) 2-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]acetate
CID 18556909
2-(2-bicyclo[2.2.1]heptanyl)-1-(4-chloronaphthalen-1-yl)ethanone
CID 79591378
1-(1-bromo-2-cyclopentylethyl)-4-chloronaphthalene
CID 79597680
(4-chloronaphthalen-1-yl)-cyclobutylmethanol
CID 79597390

Frequently Asked Questions

What is the IUPAC name of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene?
The IUPAC name of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene (CID 79592811) is 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene.
What is the SMILES notation for 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene?
The canonical SMILES for 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene is Clc1ccc(C(Cl)C2CC3CCC2C3)c2ccccc12.
What is the InChIKey of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene?
The InChIKey is RAXZMKKIYRBIMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl2/c19-17-8-7-15(13-3-1-2-4-14(13)17)18(20)16-10-11-5-6-12(16)9-11/h1-4,7-8,11-12,16,18H,5-6,9-10H2.
What are the key properties of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene?
1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene has a molecular weight of 305.25 g/mol, XLogP of 6.21, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene is sourced from PubChem (CID 79592811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).