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

C19H21Cl — CID 81430159

IUPAC1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)C1CC2CCC1C2
InChIInChI=1S/C19H21Cl/c1-12-6-8-14-4-2-3-5-16(14)18(12)19(20)17-11-13-7-9-15(17)10-13/h2-6,8,13,15,17,19H,7,9-11H2,1H3
InChIKeyVTZHPOFZSNDTSK-UHFFFAOYSA-N
MW284.83 g/mol
LogP5.86
Rot. Bonds2

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

1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene (PubChem CID 81430159) has the molecular formula C19H21Cl and a molecular weight of 284.83 g/mol. Its IUPAC name is 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene.

Molecular Properties

Compound Name1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene
PubChem CID81430159
Molecular FormulaC19H21Cl
Molecular Weight284.83 g/mol
Exact Mass284.13
IUPAC Name1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene
SMILESCc1ccc2ccccc2c1C(Cl)C1CC2CCC1C2
InChIInChI=1S/C19H21Cl/c1-12-6-8-14-4-2-3-5-16(14)18(12)19(20)17-11-13-7-9-15(17)10-13/h2-6,8,13,15,17,19H,7,9-11H2,1H3
InChIKeyVTZHPOFZSNDTSK-UHFFFAOYSA-N
XLogP5.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.83
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene?
The IUPAC name of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene (CID 81430159) is 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene.
What is the SMILES notation for 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene?
The canonical SMILES for 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene is Cc1ccc2ccccc2c1C(Cl)C1CC2CCC1C2.
What is the InChIKey of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene?
The InChIKey is VTZHPOFZSNDTSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl/c1-12-6-8-14-4-2-3-5-16(14)18(12)19(20)17-11-13-7-9-15(17)10-13/h2-6,8,13,15,17,19H,7,9-11H2,1H3.
What are the key properties of 1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene?
1-[2-bicyclo[2.2.1]heptanyl(chloro)methyl]-2-methylnaphthalene has a molecular weight of 284.83 g/mol, XLogP of 5.86, 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]-2-methylnaphthalene is sourced from PubChem (CID 81430159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).