2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene

C20H23Cl — CID 63519319

IUPAC2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
SMILESClC(Cc1ccc2ccccc2c1)CC1CC2CCC1C2
InChIInChI=1S/C20H23Cl/c21-20(13-19-11-14-6-8-18(19)9-14)12-15-5-7-16-3-1-2-4-17(16)10-15/h1-5,7,10,14,18-20H,6,8-9,11-13H2
InChIKeyMDIZSLPCAPMHPT-UHFFFAOYSA-N
MW298.86 g/mol
LogP5.82
Rot. Bonds4

About 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene

2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene (PubChem CID 63519319) has the molecular formula C20H23Cl and a molecular weight of 298.86 g/mol. Its IUPAC name is 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene.

Molecular Properties

Compound Name2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
PubChem CID63519319
Molecular FormulaC20H23Cl
Molecular Weight298.86 g/mol
Exact Mass298.15
IUPAC Name2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene
SMILESClC(Cc1ccc2ccccc2c1)CC1CC2CCC1C2
InChIInChI=1S/C20H23Cl/c21-20(13-19-11-14-6-8-18(19)9-14)12-15-5-7-16-3-1-2-4-17(16)10-15/h1-5,7,10,14,18-20H,6,8-9,11-13H2
InChIKeyMDIZSLPCAPMHPT-UHFFFAOYSA-N
XLogP5.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.86
LogP ≤ 55.82
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 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene?
The IUPAC name of 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene (CID 63519319) is 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene.
What is the SMILES notation for 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene?
The canonical SMILES for 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene is ClC(Cc1ccc2ccccc2c1)CC1CC2CCC1C2.
What is the InChIKey of 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene?
The InChIKey is MDIZSLPCAPMHPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23Cl/c21-20(13-19-11-14-6-8-18(19)9-14)12-15-5-7-16-3-1-2-4-17(16)10-15/h1-5,7,10,14,18-20H,6,8-9,11-13H2.
What are the key properties of 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene?
2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene has a molecular weight of 298.86 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-bicyclo[2.2.1]heptanyl)-2-chloropropyl]naphthalene is sourced from PubChem (CID 63519319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).