4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol

C15H13F3O2 — CID 10978897

IUPAC4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)14(11-3-7-13(20)8-4-11)9-10-1-5-12(19)6-2-10/h1-8,14,19-20H,9H2
InChIKeyFGHONHDQVXCIHF-UHFFFAOYSA-N
MW282.26 g/mol
LogP3.99
Rot. Bonds3

About 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol

4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol (PubChem CID 10978897) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol.

Molecular Properties

Compound Name4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol
PubChem CID10978897
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol
SMILESOc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)14(11-3-7-13(20)8-4-11)9-10-1-5-12(19)6-2-10/h1-8,14,19-20H,9H2
InChIKeyFGHONHDQVXCIHF-UHFFFAOYSA-N
XLogP3.99
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol?
The IUPAC name of 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol (CID 10978897) is 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol.
What is the SMILES notation for 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol?
The canonical SMILES for 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol is Oc1ccc(CC(c2ccc(O)cc2)C(F)(F)F)cc1.
What is the InChIKey of 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol?
The InChIKey is FGHONHDQVXCIHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-15(17,18)14(11-3-7-13(20)8-4-11)9-10-1-5-12(19)6-2-10/h1-8,14,19-20H,9H2.
What are the key properties of 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol?
4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol has a molecular weight of 282.26 g/mol, XLogP of 3.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,3-trifluoro-2-(4-hydroxyphenyl)propyl]phenol is sourced from PubChem (CID 10978897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).