1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene

C18H20 — CID 153281935

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
SMILESCc1cc(C2CC3CCC2C3)c2ccccc2c1
InChIInChI=1S/C18H20/c1-12-8-14-4-2-3-5-16(14)18(9-12)17-11-13-6-7-15(17)10-13/h2-5,8-9,13,15,17H,6-7,10-11H2,1H3
InChIKeyAWNLMCZRQFILCI-UHFFFAOYSA-N
MW236.36 g/mol
LogP5.05
Rot. Bonds1

About 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene

1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene (PubChem CID 153281935) has the molecular formula C18H20 and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
PubChem CID153281935
Molecular FormulaC18H20
Molecular Weight236.36 g/mol
Exact Mass236.16
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene
SMILESCc1cc(C2CC3CCC2C3)c2ccccc2c1
InChIInChI=1S/C18H20/c1-12-8-14-4-2-3-5-16(14)18(9-12)17-11-13-6-7-15(17)10-13/h2-5,8-9,13,15,17H,6-7,10-11H2,1H3
InChIKeyAWNLMCZRQFILCI-UHFFFAOYSA-N
XLogP5.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.36
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1R,2R,4S)-2-(2-methylphenyl)bicyclo[2.2.1]heptane
CID 10397553
1-cyclopentyl-3-methylnaphthalene
CID 153311987
1-[2-(2-bicyclo[2.2.1]heptanyl)naphthalen-1-yl]ethanone
CID 122390793
2-(2,4-dimethylphenyl)bicyclo[2.2.1]heptane
CID 15514590
2-(2-tert-butyl-5-methylphenyl)bicyclo[2.2.1]heptane
CID 169322267
(1R,2R,4S)-2-(3,5-dimethylphenyl)bicyclo[2.2.1]heptane
CID 101176008
2-(2-bicyclo[2.2.1]heptanyl)-N-methylaniline
CID 86079692
1-(2-bicyclo[2.2.1]heptanyl)-5-chloronaphthalene
CID 170648879
(1S,4R)-2-phenylbicyclo[2.2.1]heptane
CID 10965003
(1S,2S,4R)-2-(2-phenylphenyl)bicyclo[2.2.1]heptane
CID 16687687
2-(2-tert-butyl-3-methylphenyl)bicyclo[2.2.1]heptane
CID 169322208
2-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-6-methylpyridine
CID 102340250

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene (CID 153281935) is 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene is Cc1cc(C2CC3CCC2C3)c2ccccc2c1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene?
The InChIKey is AWNLMCZRQFILCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20/c1-12-8-14-4-2-3-5-16(14)18(9-12)17-11-13-6-7-15(17)10-13/h2-5,8-9,13,15,17H,6-7,10-11H2,1H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene?
1-(2-bicyclo[2.2.1]heptanyl)-3-methylnaphthalene has a molecular weight of 236.36 g/mol, XLogP of 5.05, 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)-3-methylnaphthalene is sourced from PubChem (CID 153281935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).