1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one

C24H19F3O2 — CID 172811225

IUPAC1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccccc2C1OCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H19F3O2/c25-24(26,27)20-11-8-17(9-12-20)19-6-3-4-16(14-19)15-29-23-21-7-2-1-5-18(21)10-13-22(23)28/h1-9,11-12,14,23H,10,13,15H2
InChIKeySEYBIOJEFDUGLK-UHFFFAOYSA-N
MW396.41 g/mol
LogP6.15
Rot. Bonds4

About 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one

1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 172811225) has the molecular formula C24H19F3O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one
PubChem CID172811225
Molecular FormulaC24H19F3O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC Name1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CCc2ccccc2C1OCc1cccc(-c2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C24H19F3O2/c25-24(26,27)20-11-8-17(9-12-20)19-6-3-4-16(14-19)15-29-23-21-7-2-1-5-18(21)10-13-22(23)28/h1-9,11-12,14,23H,10,13,15H2
InChIKeySEYBIOJEFDUGLK-UHFFFAOYSA-N
XLogP6.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.41
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl (6E)-5-oxo-6-[[3-(trifluoromethyl)phenyl]methylidene]-7,8-dihydronaphthalene-2-carboxylate
CID 5703369
3'-[3-(Trifluoromethyl)phenyl]spiro[tetralin-2,2'-oxirane]-1-one
CID 21535762
[(2S,3S)-3-naphthalen-2-yl-3-(trifluoromethyl)oxiran-2-yl]-phenylmethanone
CID 134946864
naphthalen-2-yl-[(2S,3S)-3-phenyl-3-(trifluoromethyl)oxiran-2-yl]methanone
CID 134946866
[(1S)-1-naphthalen-2-ylethyl] 4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,11-heptadecafluoroundecanoate
CID 11445143
[(1S)-1-(2,6-difluorophenyl)ethyl] (2S)-2-methoxy-2-naphthalen-1-ylpropanoate
CID 102076308
(2S,3'R)-3'-[4-(trifluoromethyl)phenyl]spiro[3,4-dihydronaphthalene-2,2'-oxirane]-1-one
CID 134952641
Naphthalen-2-yl-[3-phenyl-3-(trifluoromethyl)oxiran-2-yl]methanone
CID 135065134
[(1R,4aR,8aR)-3-[4-(trifluoromethyl)phenyl]-4a,5,6,7,8,8a-hexahydro-1H-isochromen-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 138973751
3,3,3-Trifluoro-2-methoxy-2-phenyl-propionic acid 1-isopropyl-4,7,11-trimethyl-5,6,7,8,9,10-hexahydro-benzocyclodecen-8-yl ester
CID 139039392
2-Phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one
CID 162417707
(3-Fluoro-1-pyren-1-ylpropyl) 2-fluoroacetate
CID 177853351

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one (CID 172811225) is 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one is O=C1CCc2ccccc2C1OCc1cccc(-c2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is SEYBIOJEFDUGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3O2/c25-24(26,27)20-11-8-17(9-12-20)19-6-3-4-16(14-19)15-29-23-21-7-2-1-5-18(21)10-13-22(23)28/h1-9,11-12,14,23H,10,13,15H2.
What are the key properties of 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one?
1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 396.41 g/mol, XLogP of 6.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[4-(trifluoromethyl)phenyl]phenyl]methoxy]-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 172811225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).