3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde

C10H9F3O3 — CID 164915264

IUPAC3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(CCO)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-7(1-2-14)3-8(5-9)6-15/h3-6,14H,1-2H2
InChIKeyOQJRENOLNLFULA-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.93
Rot. Bonds4

About 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde

3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde (PubChem CID 164915264) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde
PubChem CID164915264
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde
SMILESO=Cc1cc(CCO)cc(OC(F)(F)F)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-7(1-2-14)3-8(5-9)6-15/h3-6,14H,1-2H2
InChIKeyOQJRENOLNLFULA-UHFFFAOYSA-N
XLogP1.93
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.17
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(2-hydroxyethyl)-5-(trifluoromethoxy)phenyl]ethanol
CID 170887317
3-(4-hydroxybut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170477457
3-formyl-5-(trifluoromethoxy)benzoic acid
CID 154727146
ethyl 3-formyl-5-(trifluoromethoxy)benzoate
CID 164892904
3-[(E)-2-cyclopropylethenyl]-5-(trifluoromethoxy)benzaldehyde
CID 122476271
(E)-3-[3-(2-cyanoethyl)-5-(trifluoromethoxy)phenyl]prop-2-enoic acid
CID 134621485
3-(4-sulfanylbut-1-enyl)-5-(trifluoromethoxy)benzaldehyde
CID 170479239
3-phenyl-5-(trifluoromethoxy)benzaldehyde
CID 122475037
2-hydroxy-2-[3-(3-oxopropyl)-5-(trifluoromethoxy)phenyl]acetic acid
CID 135741040
3-methyl-5-[[4-(trifluoromethoxy)phenyl]methyl]benzaldehyde
CID 122476121
ethyl 4-[3-formyl-5-(trifluoromethoxy)phenyl]but-3-enoate
CID 170797043
3-(4-chloro-1,2-dihydroxybutyl)-5-(trifluoromethoxy)benzaldehyde
CID 171894742

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde?
The IUPAC name of 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde (CID 164915264) is 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde.
What is the SMILES notation for 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde?
The canonical SMILES for 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde is O=Cc1cc(CCO)cc(OC(F)(F)F)c1.
What is the InChIKey of 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde?
The InChIKey is OQJRENOLNLFULA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)16-9-4-7(1-2-14)3-8(5-9)6-15/h3-6,14H,1-2H2.
What are the key properties of 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde?
3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde has a molecular weight of 234.17 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5-(trifluoromethoxy)benzaldehyde is sourced from PubChem (CID 164915264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).