4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene

C14H18Cl2O — CID 64748332

IUPAC4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccc(Cl)cc2CCl)CC1
InChIInChI=1S/C14H18Cl2O/c1-10-2-5-13(6-3-10)17-14-7-4-12(16)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9H2,1H3
InChIKeyARIGLWKRPBUKJL-UHFFFAOYSA-N
MW273.20 g/mol
LogP5.04
Rot. Bonds3

About 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene

4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene (PubChem CID 64748332) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
PubChem CID64748332
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
SMILESCC1CCC(Oc2ccc(Cl)cc2CCl)CC1
InChIInChI=1S/C14H18Cl2O/c1-10-2-5-13(6-3-10)17-14-7-4-12(16)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9H2,1H3
InChIKeyARIGLWKRPBUKJL-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500273.20
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene (CID 64748332) is 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene is CC1CCC(Oc2ccc(Cl)cc2CCl)CC1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene?
The InChIKey is ARIGLWKRPBUKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-10-2-5-13(6-3-10)17-14-7-4-12(16)8-11(14)9-15/h4,7-8,10,13H,2-3,5-6,9H2,1H3.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene?
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene has a molecular weight of 273.20 g/mol, XLogP of 5.04, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene is sourced from PubChem (CID 64748332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).