1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene

C17H17Cl — CID 170648879

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
SMILESClc1cccc2c(C3CC4CCC3C4)cccc12
InChIInChI=1S/C17H17Cl/c18-17-6-2-4-13-14(3-1-5-15(13)17)16-10-11-7-8-12(16)9-11/h1-6,11-12,16H,7-10H2
InChIKeyDPKZMFZOQXXEHQ-UHFFFAOYSA-N
MW256.78 g/mol
LogP5.40
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene

1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene (PubChem CID 170648879) has the molecular formula C17H17Cl and a molecular weight of 256.78 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
PubChem CID170648879
Molecular FormulaC17H17Cl
Molecular Weight256.78 g/mol
Exact Mass256.10
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
SMILESClc1cccc2c(C3CC4CCC3C4)cccc12
InChIInChI=1S/C17H17Cl/c18-17-6-2-4-13-14(3-1-5-15(13)17)16-10-11-7-8-12(16)9-11/h1-6,11-12,16H,7-10H2
InChIKeyDPKZMFZOQXXEHQ-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.78
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]benzene-1,2-diol
CID 92980858
(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
2,6-bis(2-bicyclo[2.2.1]heptanyl)benzoic acid
CID 118566261
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
3-(2-bicyclo[2.2.1]heptanyl)-7-bromo-1H-indole
CID 106985399
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
CID 122390793
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
CID 153281935
3-(2-bicyclo[2.2.1]heptanyl)-1H-pyridin-2-one
CID 19748684
1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-4-chloronaphthalene
CID 79592811
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene (CID 170648879) is 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene is Clc1cccc2c(C3CC4CCC3C4)cccc12.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene?
The InChIKey is DPKZMFZOQXXEHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl/c18-17-6-2-4-13-14(3-1-5-15(13)17)16-10-11-7-8-12(16)9-11/h1-6,11-12,16H,7-10H2.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene?
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene has a molecular weight of 256.78 g/mol, XLogP of 5.40, 1 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)-5-chloronaphthalene is sourced from PubChem (CID 170648879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).