4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol

C14H11F3O2 — CID 11380147

IUPAC4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H
InChIKeyKXBKTRIYEOEIHJ-UHFFFAOYSA-N
MW268.23 g/mol
LogP3.79
Rot. Bonds2

About 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol

4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol (PubChem CID 11380147) has the molecular formula C14H11F3O2 and a molecular weight of 268.23 g/mol. Its IUPAC name is 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol.

Molecular Properties

Compound Name4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol
PubChem CID11380147
Molecular FormulaC14H11F3O2
Molecular Weight268.23 g/mol
Exact Mass268.07
IUPAC Name4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol
SMILESOc1ccc(C(c2ccc(O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C14H11F3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H
InChIKeyKXBKTRIYEOEIHJ-UHFFFAOYSA-N
XLogP3.79
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.23
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-tert-Pentylphenol
CID 6643
Diethylstilbestrol
CID 448537
Bisphenol A
CID 6623
2-Naphthol
CID 8663
Dienestrol
CID 667476
(1,1'-Biphenyl)-2-ol
CID 7017
4-tert-Butylphenol
CID 7393
Tyrosol
CID 10393
Magnolol
CID 72300
Hexestrol
CID 192197
4-Nonylphenol
CID 1752
4-Tert-octylphenol
CID 8814

Frequently Asked Questions

What is the IUPAC name of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol?
The IUPAC name of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol (CID 11380147) is 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol.
What is the SMILES notation for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol?
The canonical SMILES for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol is Oc1ccc(C(c2ccc(O)cc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol?
The InChIKey is KXBKTRIYEOEIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3O2/c15-14(16,17)13(9-1-5-11(18)6-2-9)10-3-7-12(19)8-4-10/h1-8,13,18-19H.
What are the key properties of 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol?
4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol has a molecular weight of 268.23 g/mol, XLogP of 3.79, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2,2-trifluoro-1-(4-hydroxyphenyl)ethyl]phenol is sourced from PubChem (CID 11380147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).