1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene

C15H20Cl2 — CID 63461866

IUPAC1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20Cl2/c1-2-11-5-8-15(17)13(9-11)10-12-3-6-14(16)7-4-12/h3-4,6-7,11,13,15H,2,5,8-10H2,1H3
InChIKeyYLFZQWKNNUQMDV-UHFFFAOYSA-N
MW271.23 g/mol
LogP5.32
Rot. Bonds3

About 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene

1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (PubChem CID 63461866) has the molecular formula C15H20Cl2 and a molecular weight of 271.23 g/mol. Its IUPAC name is 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
PubChem CID63461866
Molecular FormulaC15H20Cl2
Molecular Weight271.23 g/mol
Exact Mass270.09
IUPAC Name1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C15H20Cl2/c1-2-11-5-8-15(17)13(9-11)10-12-3-6-14(16)7-4-12/h3-4,6-7,11,13,15H,2,5,8-10H2,1H3
InChIKeyYLFZQWKNNUQMDV-UHFFFAOYSA-N
XLogP5.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.23
LogP ≤ 55.32
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-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The IUPAC name of 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (CID 63461866) is 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The canonical SMILES for 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is CCC1CCC(Cl)C(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The InChIKey is YLFZQWKNNUQMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20Cl2/c1-2-11-5-8-15(17)13(9-11)10-12-3-6-14(16)7-4-12/h3-4,6-7,11,13,15H,2,5,8-10H2,1H3.
What are the key properties of 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene has a molecular weight of 271.23 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is sourced from PubChem (CID 63461866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).