2-(2-chlorocyclohexyl)naphthalene

C16H17Cl — CID 63511452

IUPAC2-(2-chlorocyclohexyl)naphthalene
SMILESClC1CCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C16H17Cl/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2
InChIKeyVAYYNUBECFABGN-UHFFFAOYSA-N
MW244.77 g/mol
LogP5.10
Rot. Bonds1

About 2-(2-chlorocyclohexyl)naphthalene

2-(2-chlorocyclohexyl)naphthalene (PubChem CID 63511452) has the molecular formula C16H17Cl and a molecular weight of 244.77 g/mol. Its IUPAC name is 2-(2-chlorocyclohexyl)naphthalene.

Molecular Properties

Compound Name2-(2-chlorocyclohexyl)naphthalene
PubChem CID63511452
Molecular FormulaC16H17Cl
Molecular Weight244.77 g/mol
Exact Mass244.10
IUPAC Name2-(2-chlorocyclohexyl)naphthalene
SMILESClC1CCCCC1c1ccc2ccccc2c1
InChIInChI=1S/C16H17Cl/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2
InChIKeyVAYYNUBECFABGN-UHFFFAOYSA-N
XLogP5.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.77
LogP ≤ 55.10
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-(2-chlorocyclohexyl)naphthalene?
The IUPAC name of 2-(2-chlorocyclohexyl)naphthalene (CID 63511452) is 2-(2-chlorocyclohexyl)naphthalene.
What is the SMILES notation for 2-(2-chlorocyclohexyl)naphthalene?
The canonical SMILES for 2-(2-chlorocyclohexyl)naphthalene is ClC1CCCCC1c1ccc2ccccc2c1.
What is the InChIKey of 2-(2-chlorocyclohexyl)naphthalene?
The InChIKey is VAYYNUBECFABGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl/c17-16-8-4-3-7-15(16)14-10-9-12-5-1-2-6-13(12)11-14/h1-2,5-6,9-11,15-16H,3-4,7-8H2.
What are the key properties of 2-(2-chlorocyclohexyl)naphthalene?
2-(2-chlorocyclohexyl)naphthalene has a molecular weight of 244.77 g/mol, XLogP of 5.10, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorocyclohexyl)naphthalene is sourced from PubChem (CID 63511452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).