(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone

C19H13F3O2 — CID 169324751

IUPAC(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C19H13F3O2/c1-24-15-10-13-4-2-3-5-16(13)17(11-15)18(23)12-6-8-14(9-7-12)19(20,21)22/h2-11H,1H3
InChIKeyDAKWGZVCZWBWCE-UHFFFAOYSA-N
MW330.31 g/mol
LogP5.10
Rot. Bonds3

About (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone

(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 169324751) has the molecular formula C19H13F3O2 and a molecular weight of 330.31 g/mol. Its IUPAC name is (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID169324751
Molecular FormulaC19H13F3O2
Molecular Weight330.31 g/mol
Exact Mass330.09
IUPAC Name(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCOc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2c1
InChIInChI=1S/C19H13F3O2/c1-24-15-10-13-4-2-3-5-16(13)17(11-15)18(23)12-6-8-14(9-7-12)19(20,21)22/h2-11H,1H3
InChIKeyDAKWGZVCZWBWCE-UHFFFAOYSA-N
XLogP5.10
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.31
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 4409
Beta-Naphthoflavone
CID 2361
Alpha-Naphthoflavone
CID 11790
Cra 13
CID 9799417
6-Methoxy-alpha-tetralone
CID 14112
C.I. Vat Green 1
CID 31410
3-Methoxy-7H-benz(de)anthracen-7-one
CID 77267
6-Methoxy-2-naphthaldehyde
CID 76991
2-Naphthyl benzoate
CID 66734
2-(4-Methoxybenzylidene)-1-tetralone
CID 695537
Benzo(b)naphtho(2,3-d)furan
CID 71072
1-(6-Methoxy-2-naphthalenyl)-1-propanone
CID 75913

Frequently Asked Questions

What is the IUPAC name of (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 169324751) is (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone is COc1cc(C(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2c1.
What is the InChIKey of (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is DAKWGZVCZWBWCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3O2/c1-24-15-10-13-4-2-3-5-16(13)17(11-15)18(23)12-6-8-14(9-7-12)19(20,21)22/h2-11H,1H3.
What are the key properties of (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 330.31 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxynaphthalen-1-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 169324751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).