4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol

C17H17F3O2 — CID 3085293

IUPAC4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol
SMILESC[C@@H](c1ccc(O)cc1)[C@H](CC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C17H17F3O2/c1-11(12-2-6-14(21)7-3-12)16(10-17(18,19)20)13-4-8-15(22)9-5-13/h2-9,11,16,21-22H,10H2,1H3/t11-,16-/m0/s1
InChIKeyKTUJPJJUMKZGCV-ZBEGNZNMSA-N
MW310.31 g/mol
LogP4.94
Rot. Bonds4

About 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol

4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol (PubChem CID 3085293) has the molecular formula C17H17F3O2 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol.

Molecular Properties

Compound Name4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol
PubChem CID3085293
Molecular FormulaC17H17F3O2
Molecular Weight310.31 g/mol
Exact Mass310.12
IUPAC Name4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol
SMILESC[C@@H](c1ccc(O)cc1)[C@H](CC(F)(F)F)c1ccc(O)cc1
InChIInChI=1S/C17H17F3O2/c1-11(12-2-6-14(21)7-3-12)16(10-17(18,19)20)13-4-8-15(22)9-5-13/h2-9,11,16,21-22H,10H2,1H3/t11-,16-/m0/s1
InChIKeyKTUJPJJUMKZGCV-ZBEGNZNMSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol?
The IUPAC name of 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol (CID 3085293) is 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol.
What is the SMILES notation for 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol?
The canonical SMILES for 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol is C[C@@H](c1ccc(O)cc1)[C@H](CC(F)(F)F)c1ccc(O)cc1.
What is the InChIKey of 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol?
The InChIKey is KTUJPJJUMKZGCV-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H17F3O2/c1-11(12-2-6-14(21)7-3-12)16(10-17(18,19)20)13-4-8-15(22)9-5-13/h2-9,11,16,21-22H,10H2,1H3/t11-,16-/m0/s1.
What are the key properties of 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol?
4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol has a molecular weight of 310.31 g/mol, XLogP of 4.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R,3S)-5,5,5-trifluoro-3-(4-hydroxyphenyl)pentan-2-yl]phenol is sourced from PubChem (CID 3085293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).