1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene

C17H17F3O2 — CID 134959786

IUPAC1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene
SMILESCOc1ccccc1[C@H](C)c1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C17H17F3O2/c1-11-10-13(22-17(18,19)20)8-9-14(11)12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeyVNCPMWSUZOPTAP-GFCCVEGCSA-N
MW310.32 g/mol
LogP5.05
Rot. Bonds4

About 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene

1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene (PubChem CID 134959786) has the molecular formula C17H17F3O2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene.

Molecular Properties

Compound Name1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene
PubChem CID134959786
Molecular FormulaC17H17F3O2
Molecular Weight310.32 g/mol
Exact Mass310.12
IUPAC Name1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene
SMILESCOc1ccccc1[C@H](C)c1ccc(OC(F)(F)F)cc1C
InChIInChI=1S/C17H17F3O2/c1-11-10-13(22-17(18,19)20)8-9-14(11)12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3/t12-/m1/s1
InChIKeyVNCPMWSUZOPTAP-GFCCVEGCSA-N
XLogP5.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.32
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-1-propan-2-yl-4-(trifluoromethoxy)benzene
CID 59734586
(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethanamine;hydrochloride
CID 171208716
(S)-(2-methoxyphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171239727
1,2-dimethoxy-4-(trifluoromethoxy)benzene
CID 58342037
(S)-(4-methoxy-2-methylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171244237
ethane;2-fluoro-1-methoxy-3-propan-2-ylbenzene;1-methyl-4-(trifluoromethoxy)benzene
CID 176686233
1,2-di(propan-2-yl)-4-(trifluoromethoxy)benzene
CID 59455097
N-[1-(2-methoxyphenyl)ethyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 4828145
(1S)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-1-amine;hydrochloride
CID 171236205
(1S,2R)-1-amino-1-[2-methoxy-4-(trifluoromethoxy)phenyl]-3-methylbutan-2-ol
CID 171271935
1-methyl-2-(trifluoromethoxy)benzene
CID 159717363
1-[(1S)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]ethyl]piperazine;dihydrochloride
CID 171279670

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene?
The IUPAC name of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene (CID 134959786) is 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene.
What is the SMILES notation for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene?
The canonical SMILES for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene is COc1ccccc1[C@H](C)c1ccc(OC(F)(F)F)cc1C.
What is the InChIKey of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene?
The InChIKey is VNCPMWSUZOPTAP-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H17F3O2/c1-11-10-13(22-17(18,19)20)8-9-14(11)12(2)15-6-4-5-7-16(15)21-3/h4-10,12H,1-3H3/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene?
1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene has a molecular weight of 310.32 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-methoxyphenyl)ethyl]-2-methyl-4-(trifluoromethoxy)benzene is sourced from PubChem (CID 134959786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).