(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one

C22H15F3O2 — CID 1488479

IUPAC(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C22H15F3O2/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/h1-12,18H,13H2/t18-/m0/s1
InChIKeyWLXVJMDOENLLJQ-SFHVURJKSA-N
MW368.35 g/mol
LogP6.22
Rot. Bonds3

About (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one

(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one (PubChem CID 1488479) has the molecular formula C22H15F3O2 and a molecular weight of 368.35 g/mol. Its IUPAC name is (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one
PubChem CID1488479
Molecular FormulaC22H15F3O2
Molecular Weight368.35 g/mol
Exact Mass368.10
IUPAC Name(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one
SMILESO=C1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21
InChIInChI=1S/C22H15F3O2/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/h1-12,18H,13H2/t18-/m0/s1
InChIKeyWLXVJMDOENLLJQ-SFHVURJKSA-N
XLogP6.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.35
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one
CID 1488478
2-[3-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049380
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanol
CID 3700252
[2-[3-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 19627404
(3S)-3-(4-chlorophenyl)-6-(trifluoromethyl)-2,3-dihydroinden-1-one
CID 125481519
1-isocyanato-2-[3-(trifluoromethyl)phenoxy]benzene
CID 162043623
2-(3-phenoxyphenyl)-3-[3-(trifluoromethyl)phenyl]-1,3-thiazolidin-4-one
CID 4220193
4-(trifluoromethyl)-2-[3-(trifluoromethyl)phenoxy]phenol
CID 54042030
ethyl 2-[3-(trifluoromethyl)phenoxy]benzoate
CID 133061108
methyl 2-[2-[3-[3-(trifluoromethyl)phenoxy]phenoxy]phenyl]acetate
CID 151514749
6,7-dimethoxy-4-[3-(trifluoromethyl)phenyl]-3,4-dihydro-1H-quinolin-2-one
CID 2962899
2,2-difluoro-2-(3-phenoxyphenyl)acetaldehyde
CID 153445299

Frequently Asked Questions

What is the IUPAC name of (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one?
The IUPAC name of (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one (CID 1488479) is (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one.
What is the SMILES notation for (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one?
The canonical SMILES for (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one is O=C1C[C@@H](c2ccccc2)c2cccc(Oc3cccc(C(F)(F)F)c3)c21.
What is the InChIKey of (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one?
The InChIKey is WLXVJMDOENLLJQ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H15F3O2/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/h1-12,18H,13H2/t18-/m0/s1.
What are the key properties of (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one?
(3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one has a molecular weight of 368.35 g/mol, XLogP of 6.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-phenyl-7-[3-(trifluoromethyl)phenoxy]-2,3-dihydroinden-1-one is sourced from PubChem (CID 1488479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).