3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde

C14H8ClF3O2 — CID 58876904

IUPAC3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)c1O
InChIInChI=1S/C14H8ClF3O2/c15-12-6-9(4-10(7-19)13(12)20)8-2-1-3-11(5-8)14(16,17)18/h1-7,20H
InChIKeyMGNUZQYXTBRZSC-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.54
Rot. Bonds2

About 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde

3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde (PubChem CID 58876904) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde
PubChem CID58876904
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde
SMILESO=Cc1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)c1O
InChIInChI=1S/C14H8ClF3O2/c15-12-6-9(4-10(7-19)13(12)20)8-2-1-3-11(5-8)14(16,17)18/h1-7,20H
InChIKeyMGNUZQYXTBRZSC-UHFFFAOYSA-N
XLogP4.54
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde?
The IUPAC name of 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde (CID 58876904) is 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde.
What is the SMILES notation for 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde?
The canonical SMILES for 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde is O=Cc1cc(-c2cccc(C(F)(F)F)c2)cc(Cl)c1O.
What is the InChIKey of 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde?
The InChIKey is MGNUZQYXTBRZSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-12-6-9(4-10(7-19)13(12)20)8-2-1-3-11(5-8)14(16,17)18/h1-7,20H.
What are the key properties of 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde?
3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde has a molecular weight of 300.66 g/mol, XLogP of 4.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-hydroxy-5-[3-(trifluoromethyl)phenyl]benzaldehyde is sourced from PubChem (CID 58876904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).