3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde

C14H9F3O3 — CID 53221935

IUPAC3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-13-6-11(5-12(19)7-13)10-3-1-2-9(4-10)8-18/h1-8,19H
InChIKeyJXXZOLZHVDPFLM-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.77
Rot. Bonds3

About 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde

3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde (PubChem CID 53221935) has the molecular formula C14H9F3O3 and a molecular weight of 282.22 g/mol. Its IUPAC name is 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
PubChem CID53221935
Molecular FormulaC14H9F3O3
Molecular Weight282.22 g/mol
Exact Mass282.05
IUPAC Name3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde
SMILESO=Cc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H9F3O3/c15-14(16,17)20-13-6-11(5-12(19)7-13)10-3-1-2-9(4-10)8-18/h1-8,19H
InChIKeyJXXZOLZHVDPFLM-UHFFFAOYSA-N
XLogP3.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 53.77
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

3-(3-hydroxyphenyl)-5-(trifluoromethoxy)phenol
CID 53221920
3-(3-aminophenyl)-5-(trifluoromethoxy)phenol
CID 53221916
3-phenyl-5-(trifluoromethoxy)benzaldehyde
CID 122475037
3-(3-propan-2-ylphenyl)-5-(trifluoromethoxy)benzaldehyde
CID 175670422
methane;3-(trifluoromethoxy)benzaldehyde
CID 143923091
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
4-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzoic acid
CID 53222015
3-(4-tert-butylphenyl)-5-(trifluoromethoxy)phenol
CID 53222073
3-(3-fluoro-4-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221967
3-[4-[(2-methylpropan-2-yl)oxy]phenyl]benzaldehyde
CID 83655086
3-(4-fluoro-3-methylphenyl)-5-(trifluoromethoxy)phenol
CID 53221969
3-(3-chloro-4-fluorophenyl)-5-(trifluoromethoxy)phenol
CID 53222067

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde?
The IUPAC name of 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde (CID 53221935) is 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde.
What is the SMILES notation for 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde?
The canonical SMILES for 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde is O=Cc1cccc(-c2cc(O)cc(OC(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde?
The InChIKey is JXXZOLZHVDPFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O3/c15-14(16,17)20-13-6-11(5-12(19)7-13)10-3-1-2-9(4-10)8-18/h1-8,19H.
What are the key properties of 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde?
3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde has a molecular weight of 282.22 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-5-(trifluoromethoxy)phenyl]benzaldehyde is sourced from PubChem (CID 53221935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).