1-(chloromethyl)-4-cyclohexylnaphthalene

C17H19Cl — CID 23346480

IUPAC1-(chloromethyl)-4-cyclohexylnaphthalene
SMILESClCc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C17H19Cl/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyYCBGZXAJACCOAD-UHFFFAOYSA-N
MW258.79 g/mol
LogP5.63
Rot. Bonds2

About 1-(chloromethyl)-4-cyclohexylnaphthalene

1-(chloromethyl)-4-cyclohexylnaphthalene (PubChem CID 23346480) has the molecular formula C17H19Cl and a molecular weight of 258.79 g/mol. Its IUPAC name is 1-(chloromethyl)-4-cyclohexylnaphthalene.

Molecular Properties

Compound Name1-(chloromethyl)-4-cyclohexylnaphthalene
PubChem CID23346480
Molecular FormulaC17H19Cl
Molecular Weight258.79 g/mol
Exact Mass258.12
IUPAC Name1-(chloromethyl)-4-cyclohexylnaphthalene
SMILESClCc1ccc(C2CCCCC2)c2ccccc12
InChIInChI=1S/C17H19Cl/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h4-5,8-11,13H,1-3,6-7,12H2
InChIKeyYCBGZXAJACCOAD-UHFFFAOYSA-N
XLogP5.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.79
LogP ≤ 55.63
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-(chloromethyl)-4-cyclohexylnaphthalene?
The IUPAC name of 1-(chloromethyl)-4-cyclohexylnaphthalene (CID 23346480) is 1-(chloromethyl)-4-cyclohexylnaphthalene.
What is the SMILES notation for 1-(chloromethyl)-4-cyclohexylnaphthalene?
The canonical SMILES for 1-(chloromethyl)-4-cyclohexylnaphthalene is ClCc1ccc(C2CCCCC2)c2ccccc12.
What is the InChIKey of 1-(chloromethyl)-4-cyclohexylnaphthalene?
The InChIKey is YCBGZXAJACCOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19Cl/c18-12-14-10-11-16(13-6-2-1-3-7-13)17-9-5-4-8-15(14)17/h4-5,8-11,13H,1-3,6-7,12H2.
What are the key properties of 1-(chloromethyl)-4-cyclohexylnaphthalene?
1-(chloromethyl)-4-cyclohexylnaphthalene has a molecular weight of 258.79 g/mol, XLogP of 5.63, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-4-cyclohexylnaphthalene is sourced from PubChem (CID 23346480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).