1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene

C14H18Cl2O — CID 66345737

IUPAC1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18Cl2O/c1-4-14(3)12(16)8-13(14)17-10-5-6-11(15)9(2)7-10/h5-7,12-13H,4,8H2,1-3H3
InChIKeyDMNBZILPVFNWKW-UHFFFAOYSA-N
MW273.20 g/mol
LogP4.82
Rot. Bonds3

About 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene

1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene (PubChem CID 66345737) has the molecular formula C14H18Cl2O and a molecular weight of 273.20 g/mol. Its IUPAC name is 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene.

Molecular Properties

Compound Name1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
PubChem CID66345737
Molecular FormulaC14H18Cl2O
Molecular Weight273.20 g/mol
Exact Mass272.07
IUPAC Name1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene
SMILESCCC1(C)C(Cl)CC1Oc1ccc(Cl)c(C)c1
InChIInChI=1S/C14H18Cl2O/c1-4-14(3)12(16)8-13(14)17-10-5-6-11(15)9(2)7-10/h5-7,12-13H,4,8H2,1-3H3
InChIKeyDMNBZILPVFNWKW-UHFFFAOYSA-N
XLogP4.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.20
LogP ≤ 54.82
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 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene?
The IUPAC name of 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene (CID 66345737) is 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene.
What is the SMILES notation for 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene?
The canonical SMILES for 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene is CCC1(C)C(Cl)CC1Oc1ccc(Cl)c(C)c1.
What is the InChIKey of 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene?
The InChIKey is DMNBZILPVFNWKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18Cl2O/c1-4-14(3)12(16)8-13(14)17-10-5-6-11(15)9(2)7-10/h5-7,12-13H,4,8H2,1-3H3.
What are the key properties of 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene?
1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene has a molecular weight of 273.20 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-(3-chloro-2-ethyl-2-methylcyclobutyl)oxy-2-methylbenzene is sourced from PubChem (CID 66345737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).