1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene

C14H8Cl6O — CID 14093485

IUPAC1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene
SMILESClC(Cl)(Cl)c1ccc(Oc2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C14H8Cl6O/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyBCXSOEGBTFQXLL-UHFFFAOYSA-N
MW404.94 g/mol
LogP7.13
Rot. Bonds2

About 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene

1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene (PubChem CID 14093485) has the molecular formula C14H8Cl6O and a molecular weight of 404.94 g/mol. Its IUPAC name is 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene.

Molecular Properties

Compound Name1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene
PubChem CID14093485
Molecular FormulaC14H8Cl6O
Molecular Weight404.94 g/mol
Exact Mass401.87
IUPAC Name1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene
SMILESClC(Cl)(Cl)c1ccc(Oc2ccc(C(Cl)(Cl)Cl)cc2)cc1
InChIInChI=1S/C14H8Cl6O/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H
InChIKeyBCXSOEGBTFQXLL-UHFFFAOYSA-N
XLogP7.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.94
LogP ≤ 57.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-[chloro(diphenyl)methyl]-4-phenoxybenzene
CID 15182049
[4-[chloro(diphenyl)methyl]phenoxy]cyclodecapentaene
CID 138738136
bis[4-(trichloromethyl)phenyl] hydrogen phosphate
CID 87933742
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
CID 87850668
1-[difluoro-[4-(trichloromethyl)phenyl]methyl]-4-(trichloromethyl)benzene
CID 21412930
4-(trichloromethyl)phenol
CID 21200855
2,2,2-trichloro-1-[4-[4-[dichloro-[4-[4-(2,2,2-trichloroacetyl)phenoxy]phenyl]methyl]phenoxy]phenyl]ethanone
CID 14048238
1,4-bis(4-chlorophenoxy)benzene
CID 10996522
4-[4-(4-tert-butylphenoxy)phenoxy]phenol
CID 143727417
1-(4-nitrophenoxy)-3-(trichloromethyl)benzene
CID 12765872
4-[4-(4-aminophenoxy)phenoxy]aniline;4-[4-[2-[4-(4-aminophenoxy)phenyl]propan-2-yl]phenoxy]aniline
CID 69301255
bis[4-(4-tert-butylphenoxy)phenyl]diazene
CID 86182593

Frequently Asked Questions

What is the IUPAC name of 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene?
The IUPAC name of 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene (CID 14093485) is 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene.
What is the SMILES notation for 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene?
The canonical SMILES for 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene is ClC(Cl)(Cl)c1ccc(Oc2ccc(C(Cl)(Cl)Cl)cc2)cc1.
What is the InChIKey of 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene?
The InChIKey is BCXSOEGBTFQXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl6O/c15-13(16,17)9-1-5-11(6-2-9)21-12-7-3-10(4-8-12)14(18,19)20/h1-8H.
What are the key properties of 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene?
1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene has a molecular weight of 404.94 g/mol, XLogP of 7.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trichloromethyl)-4-[4-(trichloromethyl)phenoxy]benzene is sourced from PubChem (CID 14093485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).