4-(3,3,3-trifluoro-1-phenylpropoxy)phenol

C15H13F3O2 — CID 171108425

IUPAC4-(3,3,3-trifluoro-1-phenylpropoxy)phenol
SMILESOc1ccc(OC(CC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)10-14(11-4-2-1-3-5-11)20-13-8-6-12(19)7-9-13/h1-9,14,19H,10H2
InChIKeyROGXFJIIKJWYIQ-UHFFFAOYSA-N
MW282.26 g/mol
LogP4.46
Rot. Bonds4

About 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol

4-(3,3,3-trifluoro-1-phenylpropoxy)phenol (PubChem CID 171108425) has the molecular formula C15H13F3O2 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol.

Molecular Properties

Compound Name4-(3,3,3-trifluoro-1-phenylpropoxy)phenol
PubChem CID171108425
Molecular FormulaC15H13F3O2
Molecular Weight282.26 g/mol
Exact Mass282.09
IUPAC Name4-(3,3,3-trifluoro-1-phenylpropoxy)phenol
SMILESOc1ccc(OC(CC(F)(F)F)c2ccccc2)cc1
InChIInChI=1S/C15H13F3O2/c16-15(17,18)10-14(11-4-2-1-3-5-11)20-13-8-6-12(19)7-9-13/h1-9,14,19H,10H2
InChIKeyROGXFJIIKJWYIQ-UHFFFAOYSA-N
XLogP4.46
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol?
The IUPAC name of 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol (CID 171108425) is 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol.
What is the SMILES notation for 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol?
The canonical SMILES for 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol is Oc1ccc(OC(CC(F)(F)F)c2ccccc2)cc1.
What is the InChIKey of 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol?
The InChIKey is ROGXFJIIKJWYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3O2/c16-15(17,18)10-14(11-4-2-1-3-5-11)20-13-8-6-12(19)7-9-13/h1-9,14,19H,10H2.
What are the key properties of 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol?
4-(3,3,3-trifluoro-1-phenylpropoxy)phenol has a molecular weight of 282.26 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3,3-trifluoro-1-phenylpropoxy)phenol is sourced from PubChem (CID 171108425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).