4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde

C16H10F3NO3 — CID 118816282

IUPAC4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3ccccc3OC(F)(F)F)c(O)c12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-1-3-10(13)11-5-6-12-14(15(11)22)9(8-21)7-20-12/h1-8,20,22H
InChIKeyUVKFPIDVKYSEHD-UHFFFAOYSA-N
MW321.25 g/mol
LogP4.25
Rot. Bonds3

About 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde

4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde (PubChem CID 118816282) has the molecular formula C16H10F3NO3 and a molecular weight of 321.25 g/mol. Its IUPAC name is 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
PubChem CID118816282
Molecular FormulaC16H10F3NO3
Molecular Weight321.25 g/mol
Exact Mass321.06
IUPAC Name4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
SMILESO=Cc1c[nH]c2ccc(-c3ccccc3OC(F)(F)F)c(O)c12
InChIInChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-1-3-10(13)11-5-6-12-14(15(11)22)9(8-21)7-20-12/h1-8,20,22H
InChIKeyUVKFPIDVKYSEHD-UHFFFAOYSA-N
XLogP4.25
TPSA62.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.25
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
CID 118807088
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenol
CID 134620434
1-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]benzene
CID 18785200
3-[2-(trifluoromethoxy)phenyl]pyridine-4-carbaldehyde
CID 134621239
3-[2-(trifluoromethoxy)phenyl]thiophene-2-carbaldehyde
CID 168654704
2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 118819307
5-(trifluoromethoxy)-2-[2-(trifluoromethoxy)phenyl]phenol
CID 171115606
2,3-difluoro-4-[2-(trifluoromethoxy)phenyl]phenol
CID 119015626
6-chloro-3-[2-(trifluoromethoxy)phenyl]pyridine-2-carbaldehyde
CID 134630932
1-(trifluoromethoxy)-2-[2-(trifluoromethyl)phenyl]benzene
CID 91059190
3-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)-1H-pyridin-2-one
CID 133091691
(3-formyl-1H-indol-4-yl)thallium;bis(2,2,2-trifluoroacetic acid)
CID 11981962

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde?
The IUPAC name of 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde (CID 118816282) is 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde.
What is the SMILES notation for 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde?
The canonical SMILES for 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde is O=Cc1c[nH]c2ccc(-c3ccccc3OC(F)(F)F)c(O)c12.
What is the InChIKey of 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde?
The InChIKey is UVKFPIDVKYSEHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3NO3/c17-16(18,19)23-13-4-2-1-3-10(13)11-5-6-12-14(15(11)22)9(8-21)7-20-12/h1-8,20,22H.
What are the key properties of 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde?
4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde has a molecular weight of 321.25 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[2-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde is sourced from PubChem (CID 118816282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).