[4-(chloromethyl)phenyl]methylcyclooctane

C16H23Cl — CID 134250550

IUPAC[4-(chloromethyl)phenyl]methylcyclooctane
SMILESClCc1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C16H23Cl/c17-13-16-10-8-15(9-11-16)12-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,12-13H2
InChIKeyRRYYTWFSIOPBFR-UHFFFAOYSA-N
MW250.81 g/mol
LogP5.33
Rot. Bonds3

About [4-(chloromethyl)phenyl]methylcyclooctane

[4-(chloromethyl)phenyl]methylcyclooctane (PubChem CID 134250550) has the molecular formula C16H23Cl and a molecular weight of 250.81 g/mol. Its IUPAC name is [4-(chloromethyl)phenyl]methylcyclooctane.

Molecular Properties

Compound Name[4-(chloromethyl)phenyl]methylcyclooctane
PubChem CID134250550
Molecular FormulaC16H23Cl
Molecular Weight250.81 g/mol
Exact Mass250.15
IUPAC Name[4-(chloromethyl)phenyl]methylcyclooctane
SMILESClCc1ccc(CC2CCCCCCC2)cc1
InChIInChI=1S/C16H23Cl/c17-13-16-10-8-15(9-11-16)12-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,12-13H2
InChIKeyRRYYTWFSIOPBFR-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500250.81
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-4-(cyclohexylmethyl)benzene
CID 54108075
1-(cyclohexylmethyl)-4-methylbenzene
CID 11008690
1-bromo-4-(cyclopentylmethyl)benzene
CID 18754946
1,3,5-tris(cyclohexylmethyl)benzene
CID 157164571
1-(cyclohexylmethyl)-4-(trifluoromethyl)benzene
CID 67129674
4-(cyclohexylmethyl)benzoyl iodide
CID 163522101
1-[4-(cyclohexylmethyl)phenyl]borolane
CID 123849299
carbanide;bis(1-(cyclopentylmethyl)-4-fluorobenzene);dichlorozirconium(2+)
CID 162298590
1-[4-(cyclooctylmethyl)phenyl]ethanone
CID 154098727
1-(cyclononylmethyl)-6-methylcyclodeca-1,3,5,7,9-pentaene
CID 91363627
bis[4-(cyclohexylmethyl)phenyl] carbonate
CID 141347280
1,3-dibenzylcyclooctane
CID 3045388

Frequently Asked Questions

What is the IUPAC name of [4-(chloromethyl)phenyl]methylcyclooctane?
The IUPAC name of [4-(chloromethyl)phenyl]methylcyclooctane (CID 134250550) is [4-(chloromethyl)phenyl]methylcyclooctane.
What is the SMILES notation for [4-(chloromethyl)phenyl]methylcyclooctane?
The canonical SMILES for [4-(chloromethyl)phenyl]methylcyclooctane is ClCc1ccc(CC2CCCCCCC2)cc1.
What is the InChIKey of [4-(chloromethyl)phenyl]methylcyclooctane?
The InChIKey is RRYYTWFSIOPBFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23Cl/c17-13-16-10-8-15(9-11-16)12-14-6-4-2-1-3-5-7-14/h8-11,14H,1-7,12-13H2.
What are the key properties of [4-(chloromethyl)phenyl]methylcyclooctane?
[4-(chloromethyl)phenyl]methylcyclooctane has a molecular weight of 250.81 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(chloromethyl)phenyl]methylcyclooctane is sourced from PubChem (CID 134250550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).