1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione

C15H8Cl3NO3 — CID 158219593

IUPAC1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione
SMILESO=C1C(=O)N(c2ccc(O)c(C(Cl)(Cl)Cl)c2)c2ccccc21
InChIInChI=1S/C15H8Cl3NO3/c16-15(17,18)10-7-8(5-6-12(10)20)19-11-4-2-1-3-9(11)13(21)14(19)22/h1-7,20H
InChIKeyGDBUEKSDIPKIJC-UHFFFAOYSA-N
MW356.59 g/mol
LogP4.08
Rot. Bonds1

About 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione

1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione (PubChem CID 158219593) has the molecular formula C15H8Cl3NO3 and a molecular weight of 356.59 g/mol. Its IUPAC name is 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione.

Molecular Properties

Compound Name1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione
PubChem CID158219593
Molecular FormulaC15H8Cl3NO3
Molecular Weight356.59 g/mol
Exact Mass354.96
IUPAC Name1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione
SMILESO=C1C(=O)N(c2ccc(O)c(C(Cl)(Cl)Cl)c2)c2ccccc21
InChIInChI=1S/C15H8Cl3NO3/c16-15(17,18)10-7-8(5-6-12(10)20)19-11-4-2-1-3-9(11)13(21)14(19)22/h1-7,20H
InChIKeyGDBUEKSDIPKIJC-UHFFFAOYSA-N
XLogP4.08
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.59
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-ethyl-4-hydroxyphenyl)indole-2,3-dione
CID 158530316
1-(3,5-dibromo-4-hydroxyphenyl)indole-2,3-dione
CID 158205454
1-(4-bromophenyl)indole-2,3-dione
CID 53359241
2-(4-tert-butyl-3-hydroxyphenyl)isoindole-1,3-dione
CID 59395003
1-thiophen-3-ylindole-2,3-dione
CID 22022431
1-(3,4-dihydroxyphenyl)-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 135464293
2,3-dihydroxyanthracene-9,10-dione
CID 11031986
3-diazo-1-phenylquinoline-2,4-dione
CID 142772637
2-[3,5-bis(trifluoromethyl)phenyl]isoquinoline-1,3,4-trione
CID 10715230
(3Z)-1-(3-chlorophenyl)-3-[1-(dimethylamino)ethylidene]indol-2-one
CID 13339457
(2E)-1-(4-fluorophenyl)-2-[1-(4-fluorophenyl)-3-oxoindol-2-ylidene]indol-3-one
CID 12067382
1-[4-hydroxy-3-[(2-methylaziridin-1-yl)methyl]phenyl]-3-[3-(trifluoromethyl)phenyl]iminoindol-2-one
CID 87894763

Frequently Asked Questions

What is the IUPAC name of 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione?
The IUPAC name of 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione (CID 158219593) is 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione.
What is the SMILES notation for 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione?
The canonical SMILES for 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione is O=C1C(=O)N(c2ccc(O)c(C(Cl)(Cl)Cl)c2)c2ccccc21.
What is the InChIKey of 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione?
The InChIKey is GDBUEKSDIPKIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3NO3/c16-15(17,18)10-7-8(5-6-12(10)20)19-11-4-2-1-3-9(11)13(21)14(19)22/h1-7,20H.
What are the key properties of 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione?
1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione has a molecular weight of 356.59 g/mol, XLogP of 4.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-hydroxy-3-(trichloromethyl)phenyl]indole-2,3-dione is sourced from PubChem (CID 158219593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).