3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde

C10H9F3O3 — CID 164915077

IUPAC3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(OCCO)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-2-1-7(6-15)5-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2
InChIKeyBZIKUJDCBVMEJA-UHFFFAOYSA-N
MW234.17 g/mol
LogP1.89
Rot. Bonds4

About 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde

3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde (PubChem CID 164915077) has the molecular formula C10H9F3O3 and a molecular weight of 234.17 g/mol. Its IUPAC name is 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
PubChem CID164915077
Molecular FormulaC10H9F3O3
Molecular Weight234.17 g/mol
Exact Mass234.05
IUPAC Name3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde
SMILESO=Cc1ccc(C(F)(F)F)c(OCCO)c1
InChIInChI=1S/C10H9F3O3/c11-10(12,13)8-2-1-7(6-15)5-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2
InChIKeyBZIKUJDCBVMEJA-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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

4-(2-hydroxyethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320389
4-(4-hydroxybutoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320609
4-(2-hydroxyethoxy)-3-methoxybenzaldehyde
CID 3152712
4-(3-methoxypropoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320520
4-pentoxy-3-(trifluoromethyl)benzaldehyde
CID 55218912
3-[4-formyl-2-(trifluoromethyl)phenoxy]-N,N-dimethylpropanamide
CID 63320392
2-[4-formyl-2-(trifluoromethyl)phenoxy]acetamide
CID 63320694
3-phenyl-4-(trifluoromethyl)benzaldehyde
CID 46314974
3-fluoro-4-(4-hydroxybutoxy)benzaldehyde
CID 107689660
4-(2-chloroprop-2-enoxy)-3-(trifluoromethyl)benzaldehyde
CID 55206244
methyl 2-[4-formyl-2-(trifluoromethyl)phenoxy]acetate
CID 63320737
4-methoxy-3-[2-(2,2,2-trifluoroethoxy)ethoxy]benzaldehyde
CID 61490686

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde (CID 164915077) is 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde is O=Cc1ccc(C(F)(F)F)c(OCCO)c1.
What is the InChIKey of 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde?
The InChIKey is BZIKUJDCBVMEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O3/c11-10(12,13)8-2-1-7(6-15)5-9(8)16-4-3-14/h1-2,5-6,14H,3-4H2.
What are the key properties of 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde?
3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde has a molecular weight of 234.17 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethoxy)-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 164915077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).