3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol

C22H17F3O2 — CID 2765455

IUPAC3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C22H17F3O2/c23-22(24,25)15-8-4-9-16(12-15)27-20-11-5-10-17-18(13-19(26)21(17)20)14-6-2-1-3-7-14/h1-12,18-19,26H,13H2
InChIKeyMSENWMQWPMYKPR-UHFFFAOYSA-N
MW370.37 g/mol
LogP6.07
Rot. Bonds3

About 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol

3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol (PubChem CID 2765455) has the molecular formula C22H17F3O2 and a molecular weight of 370.37 g/mol. Its IUPAC name is 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
PubChem CID2765455
Molecular FormulaC22H17F3O2
Molecular Weight370.37 g/mol
Exact Mass370.12
IUPAC Name3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol
SMILESOC1CC(c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C22H17F3O2/c23-22(24,25)15-8-4-9-16(12-15)27-20-11-5-10-17-18(13-19(26)21(17)20)14-6-2-1-3-7-14/h1-12,18-19,26H,13H2
InChIKeyMSENWMQWPMYKPR-UHFFFAOYSA-N
XLogP6.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.37
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol (CID 2765455) is 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol is OC1CC(c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21.
What is the InChIKey of 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
The InChIKey is MSENWMQWPMYKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F3O2/c23-22(24,25)15-8-4-9-16(12-15)27-20-11-5-10-17-18(13-19(26)21(17)20)14-6-2-1-3-7-14/h1-12,18-19,26H,13H2.
What are the key properties of 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol?
3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol has a molecular weight of 370.37 g/mol, XLogP of 6.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 2765455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).