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

C13H8ClF3O2 — CID 12940613

IUPAC4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H8ClF3O2/c14-11-7-8(13(15,16)17)1-6-12(11)19-10-4-2-9(18)3-5-10/h1-7,18H
InChIKeyXKBVEHVQDYRJCW-UHFFFAOYSA-N
MW288.65 g/mol
LogP4.86
Rot. Bonds2

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

4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol (PubChem CID 12940613) has the molecular formula C13H8ClF3O2 and a molecular weight of 288.65 g/mol. Its IUPAC name is 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
PubChem CID12940613
Molecular FormulaC13H8ClF3O2
Molecular Weight288.65 g/mol
Exact Mass288.02
IUPAC Name4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
SMILESOc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1
InChIInChI=1S/C13H8ClF3O2/c14-11-7-8(13(15,16)17)1-6-12(11)19-10-4-2-9(18)3-5-10/h1-7,18H
InChIKeyXKBVEHVQDYRJCW-UHFFFAOYSA-N
XLogP4.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.65
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-[2-chloro-4-(trifluoromethyl)phenoxy]phenol
CID 15574482
1-(4-tert-butylphenoxy)-2-chloro-4-(trifluoromethyl)benzene
CID 70799689
CID 89104061
CID 89104061
4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-hydroxybenzoic acid
CID 14554243
[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 58104277
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanoyl chloride
CID 13237071
(Z)-2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 70608647
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]but-2-enoic acid
CID 54400274
1-chloro-4-[2-chloro-4-(trifluoromethyl)phenoxy]-2-methylsulfanylbenzene
CID 20524737
6-[2-chloro-4-(trifluoromethyl)phenoxy]-1,2,3,4-tetrahydronaphthalene
CID 143273839
6-[2-chloro-4-(trifluoromethyl)phenoxy]quinoxaline
CID 14255780
2-[4-[2-chloro-4-(trifluoromethyl)phenoxy]phenoxy]propanenitrile
CID 20536118

Frequently Asked Questions

What is the IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol (CID 12940613) is 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol is Oc1ccc(Oc2ccc(C(F)(F)F)cc2Cl)cc1.
What is the InChIKey of 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
The InChIKey is XKBVEHVQDYRJCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClF3O2/c14-11-7-8(13(15,16)17)1-6-12(11)19-10-4-2-9(18)3-5-10/h1-7,18H.
What are the key properties of 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol?
4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol has a molecular weight of 288.65 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-chloro-4-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 12940613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).