1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene

C16H15F3O — CID 139809698

IUPAC1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
SMILESCOc1ccc(C[C@@H](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O/c1-20-14-9-7-12(8-10-14)11-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeySTSXBRVAIFYKCJ-HNNXBMFYSA-N
MW280.29 g/mol
LogP4.58
Rot. Bonds4

About 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene

1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene (PubChem CID 139809698) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
PubChem CID139809698
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene
SMILESCOc1ccc(C[C@@H](c2ccccc2)C(F)(F)F)cc1
InChIInChI=1S/C16H15F3O/c1-20-14-9-7-12(8-10-14)11-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m0/s1
InChIKeySTSXBRVAIFYKCJ-HNNXBMFYSA-N
XLogP4.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]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

1-methoxy-4-[(2R)-2-phenylpropyl]benzene
CID 69111235
1-methoxy-4-[2-[2-(4-methoxyphenyl)-1-phenylethoxy]-2-phenylethyl]benzene
CID 22357970
1-chloro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 154543676
(1R)-2,2,2-trifluoro-N-[(4-methoxyphenyl)methyl]-1-phenylethanamine
CID 134943527
(1,1,1-trifluoro-3-methoxypropan-2-yl)benzene
CID 176962079
4,4,4-trifluoro-3-(4-methoxyphenyl)-1-phenylbutan-1-one
CID 71421950
2-fluoro-1-propyl-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethyl]benzene
CID 162550685
(1R)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184377
(1S)-N-benzyl-2,2,2-trifluoro-1-(4-methoxyphenyl)ethanamine
CID 97184376
2,2,2-trifluoro-N-[(4-methoxyphenyl)-phenylmethyl]ethanamine
CID 43167014
1-methoxy-4-[(2R)-2-methoxypropyl]benzene
CID 138984863
1-ethoxy-2-fluoro-4-[2-[4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]phenyl]ethenyl]benzene
CID 58698147

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The IUPAC name of 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene (CID 139809698) is 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene.
What is the SMILES notation for 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The canonical SMILES for 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene is COc1ccc(C[C@@H](c2ccccc2)C(F)(F)F)cc1.
What is the InChIKey of 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene?
The InChIKey is STSXBRVAIFYKCJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H15F3O/c1-20-14-9-7-12(8-10-14)11-15(16(17,18)19)13-5-3-2-4-6-13/h2-10,15H,11H2,1H3/t15-/m0/s1.
What are the key properties of 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene?
1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene has a molecular weight of 280.29 g/mol, XLogP of 4.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[(2S)-3,3,3-trifluoro-2-phenylpropyl]benzene is sourced from PubChem (CID 139809698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).