1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene

C11H11Cl3O2 — CID 104673772

IUPAC1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
SMILESCOC1C(Cl)CC1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl3O2/c1-15-11-8(14)5-10(11)16-9-4-6(12)2-3-7(9)13/h2-4,8,10-11H,5H2,1H3
InChIKeyOTTVFFRZLYRQJJ-UHFFFAOYSA-N
MW281.57 g/mol
LogP3.77
Rot. Bonds3

About 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene

1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene (PubChem CID 104673772) has the molecular formula C11H11Cl3O2 and a molecular weight of 281.57 g/mol. Its IUPAC name is 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene.

Molecular Properties

Compound Name1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
PubChem CID104673772
Molecular FormulaC11H11Cl3O2
Molecular Weight281.57 g/mol
Exact Mass279.98
IUPAC Name1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene
SMILESCOC1C(Cl)CC1Oc1cc(Cl)ccc1Cl
InChIInChI=1S/C11H11Cl3O2/c1-15-11-8(14)5-10(11)16-9-4-6(12)2-3-7(9)13/h2-4,8,10-11H,5H2,1H3
InChIKeyOTTVFFRZLYRQJJ-UHFFFAOYSA-N
XLogP3.77
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.57
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The IUPAC name of 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene (CID 104673772) is 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene.
What is the SMILES notation for 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The canonical SMILES for 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene is COC1C(Cl)CC1Oc1cc(Cl)ccc1Cl.
What is the InChIKey of 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
The InChIKey is OTTVFFRZLYRQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl3O2/c1-15-11-8(14)5-10(11)16-9-4-6(12)2-3-7(9)13/h2-4,8,10-11H,5H2,1H3.
What are the key properties of 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene?
1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene has a molecular weight of 281.57 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dichloro-2-(3-chloro-2-methoxycyclobutyl)oxybenzene is sourced from PubChem (CID 104673772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).