1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene

C14H16Cl4O — CID 66345754

IUPAC1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene
SMILESCCC1(CC)C(Cl)CC1Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl4O/c1-3-14(4-2)11(18)7-12(14)19-13-9(16)5-8(15)6-10(13)17/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyJODSBZRWMKLVBK-UHFFFAOYSA-N
MW342.09 g/mol
LogP6.21
Rot. Bonds4

About 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene

1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene (PubChem CID 66345754) has the molecular formula C14H16Cl4O and a molecular weight of 342.09 g/mol. Its IUPAC name is 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene.

Molecular Properties

Compound Name1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene
PubChem CID66345754
Molecular FormulaC14H16Cl4O
Molecular Weight342.09 g/mol
Exact Mass340.00
IUPAC Name1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene
SMILESCCC1(CC)C(Cl)CC1Oc1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H16Cl4O/c1-3-14(4-2)11(18)7-12(14)19-13-9(16)5-8(15)6-10(13)17/h5-6,11-12H,3-4,7H2,1-2H3
InChIKeyJODSBZRWMKLVBK-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.09
LogP ≤ 56.21
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 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene?
The IUPAC name of 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene (CID 66345754) is 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene.
What is the SMILES notation for 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene?
The canonical SMILES for 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene is CCC1(CC)C(Cl)CC1Oc1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene?
The InChIKey is JODSBZRWMKLVBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl4O/c1-3-14(4-2)11(18)7-12(14)19-13-9(16)5-8(15)6-10(13)17/h5-6,11-12H,3-4,7H2,1-2H3.
What are the key properties of 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene?
1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene has a molecular weight of 342.09 g/mol, XLogP of 6.21, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trichloro-2-(3-chloro-2,2-diethylcyclobutyl)oxybenzene is sourced from PubChem (CID 66345754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).