2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol

C13H7Cl2F3O2 — CID 15574482

IUPAC2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2F3O2/c14-9-3-2-8(6-11(9)19)20-12-4-1-7(5-10(12)15)13(16,17)18/h1-6,19H
InChIKeyLBCXKNIQIUVNHR-UHFFFAOYSA-N
MW323.10 g/mol
LogP5.51
Rot. Bonds2

About 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol

2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol (PubChem CID 15574482) has the molecular formula C13H7Cl2F3O2 and a molecular weight of 323.10 g/mol. Its IUPAC name is 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
PubChem CID15574482
Molecular FormulaC13H7Cl2F3O2
Molecular Weight323.10 g/mol
Exact Mass321.98
IUPAC Name2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl
InChIInChI=1S/C13H7Cl2F3O2/c14-9-3-2-8(6-11(9)19)20-12-4-1-7(5-10(12)15)13(16,17)18/h1-6,19H
InChIKeyLBCXKNIQIUVNHR-UHFFFAOYSA-N
XLogP5.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.10
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 12940613
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
CID 89104061
CID 89104061
1-chloro-2-(2-chloroethoxy)-4-[2-chloro-4-(trifluoromethyl)phenoxy]benzene
CID 20554022
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
[3-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanol
CID 13090688
2-chloro-1-(4-chloro-3-dimethoxyphosphorylphenoxy)-4-(trifluoromethyl)benzene
CID 54063494
(2S)-2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid;2-[2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]benzoyl]oxypropanoic acid
CID 90257110

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol (CID 15574482) is 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol is Oc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1Cl.
What is the InChIKey of 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The InChIKey is LBCXKNIQIUVNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2F3O2/c14-9-3-2-8(6-11(9)19)20-12-4-1-7(5-10(12)15)13(16,17)18/h1-6,19H.
What are the key properties of 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol has a molecular weight of 323.10 g/mol, XLogP of 5.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 15574482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).