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

C15H19Cl3 — CID 65321163

IUPAC1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl3/c1-2-10-3-5-14(17)11(7-10)8-12-9-13(16)4-6-15(12)18/h4,6,9-11,14H,2-3,5,7-8H2,1H3
InChIKeyBCFLDATWKNUFSW-UHFFFAOYSA-N
MW305.68 g/mol
LogP5.97
Rot. Bonds3

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

1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (PubChem CID 65321163) has the molecular formula C15H19Cl3 and a molecular weight of 305.68 g/mol. Its IUPAC name is 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.

Molecular Properties

Compound Name1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
PubChem CID65321163
Molecular FormulaC15H19Cl3
Molecular Weight305.68 g/mol
Exact Mass304.06
IUPAC Name1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
SMILESCCC1CCC(Cl)C(Cc2cc(Cl)ccc2Cl)C1
InChIInChI=1S/C15H19Cl3/c1-2-10-3-5-14(17)11(7-10)8-12-9-13(16)4-6-15(12)18/h4,6,9-11,14H,2-3,5,7-8H2,1H3
InChIKeyBCFLDATWKNUFSW-UHFFFAOYSA-N
XLogP5.97
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.68
LogP ≤ 55.97
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 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The IUPAC name of 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene (CID 65321163) is 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene.
What is the SMILES notation for 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The canonical SMILES for 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is CCC1CCC(Cl)C(Cc2cc(Cl)ccc2Cl)C1.
What is the InChIKey of 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
The InChIKey is BCFLDATWKNUFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl3/c1-2-10-3-5-14(17)11(7-10)8-12-9-13(16)4-6-15(12)18/h4,6,9-11,14H,2-3,5,7-8H2,1H3.
What are the key properties of 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene?
1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene has a molecular weight of 305.68 g/mol, XLogP of 5.97, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-[(2-chloro-5-ethylcyclohexyl)methyl]benzene is sourced from PubChem (CID 65321163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).