6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one

C16H15F3O2 — CID 146557840

IUPAC6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1C(=O)C=C(C(F)(F)F)C=C1OCCc1ccccc1
InChIInChI=1S/C16H15F3O2/c1-11-14(20)9-13(16(17,18)19)10-15(11)21-8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChIKeyRPEASTNHUWEZOV-UHFFFAOYSA-N
MW296.29 g/mol
LogP3.84
Rot. Bonds4

About 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one

6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one (PubChem CID 146557840) has the molecular formula C16H15F3O2 and a molecular weight of 296.29 g/mol. Its IUPAC name is 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one.

Molecular Properties

Compound Name6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
PubChem CID146557840
Molecular FormulaC16H15F3O2
Molecular Weight296.29 g/mol
Exact Mass296.10
IUPAC Name6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one
SMILESCC1C(=O)C=C(C(F)(F)F)C=C1OCCc1ccccc1
InChIInChI=1S/C16H15F3O2/c1-11-14(20)9-13(16(17,18)19)10-15(11)21-8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3
InChIKeyRPEASTNHUWEZOV-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,5S)-7-(2-phenylethoxy)bicyclo[3.2.0]hepta-3,6-dien-2-one
CID 11031555
(2S)-2-benzyl-3-(2-phenylethoxy)-1,2-dihydropyrrol-5-one
CID 137492079
2-methyl-6-(2-phenylethoxy)-4-(trifluoromethyl)pyridine
CID 23380586
(7S)-7-methyl-11-(3-phenylpropoxy)-8-oxa-4-azatricyclo[5.4.0.02,6]undec-10-ene-3,5,9-trione
CID 101187810
2-methoxyethylbenzene
CID 19089
[3-methyl-2-(2-phenylethoxy)phenyl]methanamine
CID 112607242
3-phenylpropyl 2,2,3,3,3-pentafluoropropanoate
CID 10588942
2-ethyl-2-(2-phenylethoxy)butanoic acid
CID 114992375
1-methoxy-4-(2-phenylethoxy)benzene
CID 101213669
2-tert-butyl-5-(2-phenylethoxy)pyridine
CID 20709511
1-(2-phenylethoxy)-4-propylbenzene
CID 70483798
12-(trifluoromethoxy)dodecylbenzene
CID 59366570

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The IUPAC name of 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one (CID 146557840) is 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one.
What is the SMILES notation for 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The canonical SMILES for 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one is CC1C(=O)C=C(C(F)(F)F)C=C1OCCc1ccccc1.
What is the InChIKey of 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
The InChIKey is RPEASTNHUWEZOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O2/c1-11-14(20)9-13(16(17,18)19)10-15(11)21-8-7-12-5-3-2-4-6-12/h2-6,9-11H,7-8H2,1H3.
What are the key properties of 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one?
6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one has a molecular weight of 296.29 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(2-phenylethoxy)-3-(trifluoromethyl)cyclohexa-2,4-dien-1-one is sourced from PubChem (CID 146557840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).