1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene

C17H17F3O — CID 67623279

IUPAC1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene
SMILESCc1ccc(CCCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)21-17(18,19)20/h2-3,6,8-12H,4-5,7H2,1H3
InChIKeyAXSXVLNOMHGTEE-UHFFFAOYSA-N
MW294.32 g/mol
LogP5.07
Rot. Bonds5

About 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene

1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene (PubChem CID 67623279) has the molecular formula C17H17F3O and a molecular weight of 294.32 g/mol. Its IUPAC name is 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene
PubChem CID67623279
Molecular FormulaC17H17F3O
Molecular Weight294.32 g/mol
Exact Mass294.12
IUPAC Name1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene
SMILESCc1ccc(CCCc2ccccc2OC(F)(F)F)cc1
InChIInChI=1S/C17H17F3O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)21-17(18,19)20/h2-3,6,8-12H,4-5,7H2,1H3
InChIKeyAXSXVLNOMHGTEE-UHFFFAOYSA-N
XLogP5.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.32
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene 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

N-methyl-3-(4-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 55550183
1-(2-chloroethyl)-2-(trifluoromethoxy)benzene
CID 53433961
2-methyl-N-[3-[2-(trifluoromethoxy)phenyl]propyl]propan-1-amine
CID 64504928
ethane;1-ethyl-2-(trifluoromethoxy)benzene
CID 177219375
1-methyl-2-[5-(4-methylphenyl)pentyl]benzene
CID 173152052
3-[2-(trifluoromethoxy)phenyl]propanenitrile
CID 53434364
1,5-bis[2-(trifluoromethoxy)phenyl]pentan-3-one
CID 174483817
CID 142546618
CID 142546618
1-chloro-4-[[2-(trifluoromethoxy)phenyl]methyl]benzene
CID 141398456
2-(4-methylphenyl)-1,3-bis(trifluoromethoxy)benzene
CID 87191314
1-[2-(trifluoromethoxy)phenyl]-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 112803590
1-(2-methylphenyl)-N-[[2-(trifluoromethoxy)phenyl]methyl]methanamine
CID 60699442

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The IUPAC name of 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene (CID 67623279) is 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene.
What is the SMILES notation for 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The canonical SMILES for 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene is Cc1ccc(CCCc2ccccc2OC(F)(F)F)cc1.
What is the InChIKey of 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene?
The InChIKey is AXSXVLNOMHGTEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3O/c1-13-9-11-14(12-10-13)5-4-7-15-6-2-3-8-16(15)21-17(18,19)20/h2-3,6,8-12H,4-5,7H2,1H3.
What are the key properties of 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene?
1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene has a molecular weight of 294.32 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[3-[2-(trifluoromethoxy)phenyl]propyl]benzene is sourced from PubChem (CID 67623279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).