3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol

C29H21F3O2 — CID 71613772

IUPAC3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol
SMILESCOc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C29H21F3O2/c1-34-23-15-12-19(13-16-23)26-24-18-22(29(30,31)32)14-17-25(24)28(33,21-10-6-3-7-11-21)27(26)20-8-4-2-5-9-20/h2-18,33H,1H3
InChIKeyKTBWLBXENYYVGE-UHFFFAOYSA-N
MW458.48 g/mol
LogP6.92
Rot. Bonds4

About 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol

3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol (PubChem CID 71613772) has the molecular formula C29H21F3O2 and a molecular weight of 458.48 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol
PubChem CID71613772
Molecular FormulaC29H21F3O2
Molecular Weight458.48 g/mol
Exact Mass458.15
IUPAC Name3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol
SMILESCOc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)c3ccc(C(F)(F)F)cc32)cc1
InChIInChI=1S/C29H21F3O2/c1-34-23-15-12-19(13-16-23)26-24-18-22(29(30,31)32)14-17-25(24)28(33,21-10-6-3-7-11-21)27(26)20-8-4-2-5-9-20/h2-18,33H,1H3
InChIKeyKTBWLBXENYYVGE-UHFFFAOYSA-N
XLogP6.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.48
LogP ≤ 56.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol?
The IUPAC name of 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol (CID 71613772) is 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol is COc1ccc(C2=C(c3ccccc3)C(O)(c3ccccc3)c3ccc(C(F)(F)F)cc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol?
The InChIKey is KTBWLBXENYYVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3O2/c1-34-23-15-12-19(13-16-23)26-24-18-22(29(30,31)32)14-17-25(24)28(33,21-10-6-3-7-11-21)27(26)20-8-4-2-5-9-20/h2-18,33H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol?
3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol has a molecular weight of 458.48 g/mol, XLogP of 6.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-1,2-diphenyl-5-(trifluoromethyl)inden-1-ol is sourced from PubChem (CID 71613772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).