2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one

C18H15F3O2 — CID 162417707

IUPAC2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H15F3O2/c19-18(20,21)17(23-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)22/h1-9H,10-12H2
InChIKeyWIESYHLXVVROLH-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.33
Rot. Bonds3

About 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one

2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one (PubChem CID 162417707) has the molecular formula C18H15F3O2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one.

Molecular Properties

Compound Name2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one
PubChem CID162417707
Molecular FormulaC18H15F3O2
Molecular Weight320.31 g/mol
Exact Mass320.10
IUPAC Name2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one
SMILESO=C1c2ccccc2CCC1(OCc1ccccc1)C(F)(F)F
InChIInChI=1S/C18H15F3O2/c19-18(20,21)17(23-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)22/h1-9H,10-12H2
InChIKeyWIESYHLXVVROLH-UHFFFAOYSA-N
XLogP4.33
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 ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(Methoxymethyl)anthracene-9,10-dione
CID 20645230
2-(Benzyloxy)naphthalene-1,4-dione
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1a-(4-methylphenyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 90667528
US8815951, Epoxide Hydrolase Inhibitor 13
CID 12846227
1a-(4-fluorophenyl)-7aH-naphtho[2,3-b]oxirene-2,7-dione
CID 90667527
[3-(4-Methylphenyl)oxiran-2-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 46886655
2-(4-Fluorobenzylidene)-1-tetraloneepoxide
CID 287824
ethyl (6E)-5-oxo-6-[[3-(trifluoromethyl)phenyl]methylidene]-7,8-dihydronaphthalene-2-carboxylate
CID 5703369
3'-(4-Methylphenyl)-3,4-dihydro-1h-spiro[naphthalene-2,2'-oxiran]-1-one
CID 287825
4,4-dimethyl-3'-phenylspiro[3H-naphthalene-2,2'-oxirane]-1-one
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CID 902707

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one?
The IUPAC name of 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one (CID 162417707) is 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one.
What is the SMILES notation for 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one?
The canonical SMILES for 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one is O=C1c2ccccc2CCC1(OCc1ccccc1)C(F)(F)F.
What is the InChIKey of 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one?
The InChIKey is WIESYHLXVVROLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3O2/c19-18(20,21)17(23-12-13-6-2-1-3-7-13)11-10-14-8-4-5-9-15(14)16(17)22/h1-9H,10-12H2.
What are the key properties of 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one?
2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one has a molecular weight of 320.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-2-(trifluoromethyl)-3,4-dihydronaphthalen-1-one is sourced from PubChem (CID 162417707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).