7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one

C18H15F3O2 — CID 118704653

IUPAC7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C18H15F3O2/c19-18(20,21)14-7-4-12(5-8-14)11-23-15-9-6-13-2-1-3-17(22)16(13)10-15/h4-10H,1-3,11H2
InChIKeyIMOIWVLQNGXMDI-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.80
Rot. Bonds3

About 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one

7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 118704653) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
PubChem CID118704653
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21
InChIInChI=1S/C18H15F3O2/c19-18(20,21)14-7-4-12(5-8-14)11-23-15-9-6-13-2-1-3-17(22)16(13)10-15/h4-10H,1-3,11H2
InChIKeyIMOIWVLQNGXMDI-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one (CID 118704653) is 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one is O=C1CCCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc21.
What is the InChIKey of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IMOIWVLQNGXMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c19-18(20,21)14-7-4-12(5-8-14)11-23-15-9-6-13-2-1-3-17(22)16(13)10-15/h4-10H,1-3,11H2.
What are the key properties of 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one?
7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 320.31 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[4-(trifluoromethyl)phenyl]methoxy]-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 118704653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).