1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole

C24H20F3NO2 — CID 134907072

IUPAC1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
SMILESCOc1ccc(-c2c(C(F)(F)F)n(Cc3ccccc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-18-10-8-17(9-11-18)22-20-13-12-19(30-2)14-21(20)28(23(22)24(25,26)27)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyFPSXOBJAWSGMSF-UHFFFAOYSA-N
MW411.42 g/mol
LogP6.39
Rot. Bonds5

About 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole

1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole (PubChem CID 134907072) has the molecular formula C24H20F3NO2 and a molecular weight of 411.42 g/mol. Its IUPAC name is 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
PubChem CID134907072
Molecular FormulaC24H20F3NO2
Molecular Weight411.42 g/mol
Exact Mass411.14
IUPAC Name1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole
SMILESCOc1ccc(-c2c(C(F)(F)F)n(Cc3ccccc3)c3cc(OC)ccc23)cc1
InChIInChI=1S/C24H20F3NO2/c1-29-18-10-8-17(9-11-18)22-20-13-12-19(30-2)14-21(20)28(23(22)24(25,26)27)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3
InChIKeyFPSXOBJAWSGMSF-UHFFFAOYSA-N
XLogP6.39
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.42
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[[3-(4-methoxyphenyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)indol-1-yl]methyl]phenoxy]-3-methylbutanoic acid
CID 10031160
2-[3-[[3-(4-methoxyphenyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)indol-1-yl]methyl]phenoxy]butanoic acid
CID 10030862
1-[1-benzyl-5-methoxy-2-(trifluoromethyl)indol-3-yl]-2,2,2-trifluoroethanone
CID 162714678
10-benzyl-3-methoxyacridin-9-one
CID 12751573
9-benzyl-7-methoxypyrido[3,4-b]indole
CID 68940620
2-[3-[[3-(4-methoxyphenyl)-2-methyl-6-(trifluoromethoxy)indol-1-yl]methyl]phenoxy]butanoic acid
CID 10436465
2-(1-benzyl-6-methoxyindol-2-yl)propan-2-ol
CID 59762275
1-benzyl-2-(2,6-difluorophenyl)-6-methoxybenzimidazole
CID 134083781
1-[(4-fluorophenyl)methyl]-6-methoxy-3-[(2-phenylethylamino)methyl]indole-2-carboxylic acid
CID 53208619
2-ethyl-6-methoxy-3-(4-methoxyphenyl)-1-propylindole
CID 13415867
3-methoxy-10-[(4-methylphenyl)methyl]acridin-9-one
CID 12751575
5-[1-[(4-chlorophenyl)methyl]-5-methoxy-2-(trifluoromethyl)indol-3-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 172839974

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole?
The IUPAC name of 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole (CID 134907072) is 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole.
What is the SMILES notation for 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole?
The canonical SMILES for 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole is COc1ccc(-c2c(C(F)(F)F)n(Cc3ccccc3)c3cc(OC)ccc23)cc1.
What is the InChIKey of 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole?
The InChIKey is FPSXOBJAWSGMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3NO2/c1-29-18-10-8-17(9-11-18)22-20-13-12-19(30-2)14-21(20)28(23(22)24(25,26)27)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3.
What are the key properties of 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole?
1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole has a molecular weight of 411.42 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-methoxy-3-(4-methoxyphenyl)-2-(trifluoromethyl)indole is sourced from PubChem (CID 134907072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).