2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol

C22H15F3O2 — CID 11696330

IUPAC2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H15F3O2/c23-22(24,25)16-5-1-14(2-6-16)21-19-10-9-18(27)11-15(19)12-20(21)13-3-7-17(26)8-4-13/h1-11,26-27H,12H2
InChIKeyABWCAVMWLBXQQF-UHFFFAOYSA-N
MW368.35 g/mol
LogP5.63
Rot. Bonds2

About 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol

2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol (PubChem CID 11696330) has the molecular formula C22H15F3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol.

Molecular Properties

Compound Name2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol
PubChem CID11696330
Molecular FormulaC22H15F3O2
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol
SMILESOc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc(O)cc3C2)cc1
InChIInChI=1S/C22H15F3O2/c23-22(24,25)16-5-1-14(2-6-16)21-19-10-9-18(27)11-15(19)12-20(21)13-3-7-17(26)8-4-13/h1-11,26-27H,12H2
InChIKeyABWCAVMWLBXQQF-UHFFFAOYSA-N
XLogP5.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol 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

2-Naphthol
CID 8663
bisphenol AF
CID 73864
9-Phenanthrol
CID 10229
1-Hydroxypyrene
CID 21387
1,1-Bis(4-hydroxyphenyl)cyclohexane
CID 232446
2-Hydroxyfluorene
CID 75547
3-Hydroxyfluorene
CID 96088
1,1,1-Tris(4-hydroxyphenyl)ethane
CID 93118
3-Phenanthrol
CID 95724
9-Hydroxybenzo(a)pyrene
CID 28598
Bisphenol P
CID 630355
4,4'-(1-Phenylethylidene)bisphenol
CID 623849

Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol?
The IUPAC name of 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol (CID 11696330) is 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol.
What is the SMILES notation for 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol?
The canonical SMILES for 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol is Oc1ccc(C2=C(c3ccc(C(F)(F)F)cc3)c3ccc(O)cc3C2)cc1.
What is the InChIKey of 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol?
The InChIKey is ABWCAVMWLBXQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3O2/c23-22(24,25)16-5-1-14(2-6-16)21-19-10-9-18(27)11-15(19)12-20(21)13-3-7-17(26)8-4-13/h1-11,26-27H,12H2.
What are the key properties of 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol?
2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol has a molecular weight of 368.35 g/mol, XLogP of 5.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxyphenyl)-1-[4-(trifluoromethyl)phenyl]-3H-inden-5-ol is sourced from PubChem (CID 11696330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).