(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole

C18H16F3NO2 — CID 138984912

IUPAC(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole
SMILESCOc1ccc([C@@]2(C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C18H16F3NO2/c1-17(11-4-6-12(23-2)7-5-11)15-9-8-13(24-3)10-14(15)16(22-17)18(19,20)21/h4-10H,1-3H3/t17-/m1/s1
InChIKeyLHWGLDZLXPUIKN-QGZVFWFLSA-N
MW335.33 g/mol
LogP4.33
Rot. Bonds3

About (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole

(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole (PubChem CID 138984912) has the molecular formula C18H16F3NO2 and a molecular weight of 335.33 g/mol. Its IUPAC name is (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole.

Molecular Properties

Compound Name(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole
PubChem CID138984912
Molecular FormulaC18H16F3NO2
Molecular Weight335.33 g/mol
Exact Mass335.11
IUPAC Name(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole
SMILESCOc1ccc([C@@]2(C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1
InChIInChI=1S/C18H16F3NO2/c1-17(11-4-6-12(23-2)7-5-11)15-9-8-13(24-3)10-14(15)16(22-17)18(19,20)21/h4-10H,1-3H3/t17-/m1/s1
InChIKeyLHWGLDZLXPUIKN-QGZVFWFLSA-N
XLogP4.33
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole?
The IUPAC name of (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole (CID 138984912) is (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole.
What is the SMILES notation for (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole?
The canonical SMILES for (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole is COc1ccc([C@@]2(C)N=C(C(F)(F)F)c3cc(OC)ccc32)cc1.
What is the InChIKey of (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole?
The InChIKey is LHWGLDZLXPUIKN-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H16F3NO2/c1-17(11-4-6-12(23-2)7-5-11)15-9-8-13(24-3)10-14(15)16(22-17)18(19,20)21/h4-10H,1-3H3/t17-/m1/s1.
What are the key properties of (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole?
(1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole has a molecular weight of 335.33 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-5-methoxy-1-(4-methoxyphenyl)-1-methyl-3-(trifluoromethyl)isoindole is sourced from PubChem (CID 138984912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).