2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde

C9H7F3O3 — CID 84685306

IUPAC2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
SMILESCOc1c(C(F)(F)F)ccc(C=O)c1O
InChIInChI=1S/C9H7F3O3/c1-15-8-6(9(10,11)12)3-2-5(4-13)7(8)14/h2-4,14H,1H3
InChIKeyONKQYEMERDNENV-UHFFFAOYSA-N
MW220.15 g/mol
LogP2.23
Rot. Bonds2

About 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde

2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde (PubChem CID 84685306) has the molecular formula C9H7F3O3 and a molecular weight of 220.15 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
PubChem CID84685306
Molecular FormulaC9H7F3O3
Molecular Weight220.15 g/mol
Exact Mass220.03
IUPAC Name2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde
SMILESCOc1c(C(F)(F)F)ccc(C=O)c1O
InChIInChI=1S/C9H7F3O3/c1-15-8-6(9(10,11)12)3-2-5(4-13)7(8)14/h2-4,14H,1H3
InChIKeyONKQYEMERDNENV-UHFFFAOYSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.15
LogP ≤ 52.23
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-methoxy-3,4-bis(trifluoromethyl)benzaldehyde
CID 134640560
6-[(E)-3-aminoprop-1-enyl]-2-methoxy-3-(trifluoromethyl)phenol
CID 117369568
2-fluoro-3-hydroxy-4-(trifluoromethyl)benzaldehyde
CID 146035323
2-[2-hydroxy-3-methoxy-4-(trifluoromethyl)phenyl]-2-oxoacetic acid
CID 117414453
4-(trifluoromethyl)naphthalene-1-carbaldehyde
CID 18537700
3-acetyl-2-ethoxy-4-(trifluoromethyl)benzaldehyde
CID 171022119
3,5-difluoro-2-hydroxy-4-methoxybenzaldehyde
CID 84770629
2-hydroxy-4-(2-hydroxypropanoyl)-3-methoxybenzaldehyde
CID 87503606
2-acetyl-3-fluoro-4-(trifluoromethyl)benzaldehyde
CID 171015628
3-[tert-butyl(dimethyl)silyl]oxy-2-hydroxy-4-methoxybenzaldehyde
CID 11701906
3-chloro-2-(methoxymethoxy)-4-(trifluoromethyl)benzaldehyde
CID 164894284
3-methoxy-6-(trifluoromethyl)benzene-1,2-diol
CID 84675773

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde (CID 84685306) is 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde is COc1c(C(F)(F)F)ccc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde?
The InChIKey is ONKQYEMERDNENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3O3/c1-15-8-6(9(10,11)12)3-2-5(4-13)7(8)14/h2-4,14H,1H3.
What are the key properties of 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde?
2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde has a molecular weight of 220.15 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-4-(trifluoromethyl)benzaldehyde is sourced from PubChem (CID 84685306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).