2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

C11H13F3O2 — CID 70695057

IUPAC2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCCCc1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-2-3-7-6-8(4-5-9(7)15)10(16)11(12,13)14/h4-6,10,15-16H,2-3H2,1H3
InChIKeyPYBQDIVTPCJVGE-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.94
Rot. Bonds3

About 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol

2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (PubChem CID 70695057) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.

Molecular Properties

Compound Name2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
PubChem CID70695057
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol
SMILESCCCc1cc(C(O)C(F)(F)F)ccc1O
InChIInChI=1S/C11H13F3O2/c1-2-3-7-6-8(4-5-9(7)15)10(16)11(12,13)14/h4-6,10,15-16H,2-3H2,1H3
InChIKeyPYBQDIVTPCJVGE-UHFFFAOYSA-N
XLogP2.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The IUPAC name of 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol (CID 70695057) is 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol.
What is the SMILES notation for 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The canonical SMILES for 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is CCCc1cc(C(O)C(F)(F)F)ccc1O.
What is the InChIKey of 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
The InChIKey is PYBQDIVTPCJVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-3-7-6-8(4-5-9(7)15)10(16)11(12,13)14/h4-6,10,15-16H,2-3H2,1H3.
What are the key properties of 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol?
2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol has a molecular weight of 234.22 g/mol, XLogP of 2.94, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-4-(2,2,2-trifluoro-1-hydroxyethyl)phenol is sourced from PubChem (CID 70695057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).