3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal

C10H7F3O3 — CID 169459783

IUPAC3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal
SMILESO=CC=Cc1cc(O)ccc1OC(F)(F)F
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-9-4-3-8(15)6-7(9)2-1-5-14/h1-6,15H
InChIKeyGMZUWKNJCREESW-UHFFFAOYSA-N
MW232.16 g/mol
LogP2.50
Rot. Bonds3

About 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal

3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal (PubChem CID 169459783) has the molecular formula C10H7F3O3 and a molecular weight of 232.16 g/mol. Its IUPAC name is 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal.

Molecular Properties

Compound Name3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal
PubChem CID169459783
Molecular FormulaC10H7F3O3
Molecular Weight232.16 g/mol
Exact Mass232.03
IUPAC Name3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal
SMILESO=CC=Cc1cc(O)ccc1OC(F)(F)F
InChIInChI=1S/C10H7F3O3/c11-10(12,13)16-9-4-3-8(15)6-7(9)2-1-5-14/h1-6,15H
InChIKeyGMZUWKNJCREESW-UHFFFAOYSA-N
XLogP2.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.16
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal?
The IUPAC name of 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal (CID 169459783) is 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal.
What is the SMILES notation for 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal?
The canonical SMILES for 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal is O=CC=Cc1cc(O)ccc1OC(F)(F)F.
What is the InChIKey of 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal?
The InChIKey is GMZUWKNJCREESW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3O3/c11-10(12,13)16-9-4-3-8(15)6-7(9)2-1-5-14/h1-6,15H.
What are the key properties of 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal?
3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal has a molecular weight of 232.16 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-2-(trifluoromethoxy)phenyl]prop-2-enal is sourced from PubChem (CID 169459783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).