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

C13H15Cl3O2 — CID 114018893

IUPAC2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
SMILESCCCOC1C(Cl)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3O2/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13H,2,5,7H2,1H3
InChIKeyWDYOZHCKCIMWEO-UHFFFAOYSA-N
MW309.62 g/mol
LogP4.55
Rot. Bonds5

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

2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene (PubChem CID 114018893) has the molecular formula C13H15Cl3O2 and a molecular weight of 309.62 g/mol. Its IUPAC name is 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene.

Molecular Properties

Compound Name2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
PubChem CID114018893
Molecular FormulaC13H15Cl3O2
Molecular Weight309.62 g/mol
Exact Mass308.01
IUPAC Name2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene
SMILESCCCOC1C(Cl)CC1Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl3O2/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13H,2,5,7H2,1H3
InChIKeyWDYOZHCKCIMWEO-UHFFFAOYSA-N
XLogP4.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.62
LogP ≤ 54.55
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 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The IUPAC name of 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene (CID 114018893) is 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene.
What is the SMILES notation for 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The canonical SMILES for 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene is CCCOC1C(Cl)CC1Oc1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene?
The InChIKey is WDYOZHCKCIMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl3O2/c1-2-5-17-13-10(16)7-12(13)18-11-4-3-8(14)6-9(11)15/h3-4,6,10,12-13H,2,5,7H2,1H3.
What are the key properties of 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene?
2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene has a molecular weight of 309.62 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-1-(3-chloro-2-propoxycyclobutyl)oxybenzene is sourced from PubChem (CID 114018893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).