2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol

C13H5Cl4F3O2 — CID 21466281

IUPAC2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cc(Cl)c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C13H5Cl4F3O2/c14-6-4-11(7(15)3-10(6)21)22-12-8(16)1-5(2-9(12)17)13(18,19)20/h1-4,21H
InChIKeyJPHAOLRJRHRUNZ-UHFFFAOYSA-N
MW391.99 g/mol
LogP6.82
Rot. Bonds2

About 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol

2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol (PubChem CID 21466281) has the molecular formula C13H5Cl4F3O2 and a molecular weight of 391.99 g/mol. Its IUPAC name is 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
PubChem CID21466281
Molecular FormulaC13H5Cl4F3O2
Molecular Weight391.99 g/mol
Exact Mass389.90
IUPAC Name2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cc(Cl)c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl
InChIInChI=1S/C13H5Cl4F3O2/c14-6-4-11(7(15)3-10(6)21)22-12-8(16)1-5(2-9(12)17)13(18,19)20/h1-4,21H
InChIKeyJPHAOLRJRHRUNZ-UHFFFAOYSA-N
XLogP6.82
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.99
LogP ≤ 56.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]benzoyl chloride
CID 21463663
5-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]naphthalen-1-ol
CID 139615369
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
2-chloro-4-(trifluoromethyl)phenol
CID 2736603
2,5-dichloro-4-(4-hydroxyphenoxy)phenol
CID 14591774
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
2-chloro-N-[[3,5-dichloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]carbamoyl]benzamide
CID 19073039
1,7-dichloro-3-(trifluoromethyl)naphthalene
CID 90487867
3-[2-chloro-6-fluoro-4-(trifluoromethyl)phenoxy]phenol
CID 14878507
4,5-dichloro-2-(4,5-dichloro-2-hydroxyphenoxy)phenol
CID 100954533
2-(1-aminocyclopropyl)-3-chloro-5-(trifluoromethyl)phenol
CID 84804101
3-[2,6-dichloro-4-(trifluoromethyl)phenoxy]-4,5-dimethylpyrazole-1-carboxamide
CID 91573870

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol (CID 21466281) is 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol is Oc1cc(Cl)c(Oc2c(Cl)cc(C(F)(F)F)cc2Cl)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol?
The InChIKey is JPHAOLRJRHRUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl4F3O2/c14-6-4-11(7(15)3-10(6)21)22-12-8(16)1-5(2-9(12)17)13(18,19)20/h1-4,21H.
What are the key properties of 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol?
2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol has a molecular weight of 391.99 g/mol, XLogP of 6.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-[2,6-dichloro-4-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 21466281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).