1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole

C22H27NO3 — CID 3019148

IUPAC1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
SMILESCOc1cc(OC)c(C=CC2N(C)c3ccccc3C2(C)C)c(OC)c1
InChIInChI=1S/C22H27NO3/c1-22(2)17-9-7-8-10-18(17)23(3)21(22)12-11-16-19(25-5)13-15(24-4)14-20(16)26-6/h7-14,21H,1-6H3
InChIKeyJFOBLRLJJPZPDD-UHFFFAOYSA-N
MW353.46 g/mol
LogP4.52
Rot. Bonds5

About 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole

1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole (PubChem CID 3019148) has the molecular formula C22H27NO3 and a molecular weight of 353.46 g/mol. Its IUPAC name is 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole.

Molecular Properties

Compound Name1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
PubChem CID3019148
Molecular FormulaC22H27NO3
Molecular Weight353.46 g/mol
Exact Mass353.20
IUPAC Name1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole
SMILESCOc1cc(OC)c(C=CC2N(C)c3ccccc3C2(C)C)c(OC)c1
InChIInChI=1S/C22H27NO3/c1-22(2)17-9-7-8-10-18(17)23(3)21(22)12-11-16-19(25-5)13-15(24-4)14-20(16)26-6/h7-14,21H,1-6H3
InChIKeyJFOBLRLJJPZPDD-UHFFFAOYSA-N
XLogP4.52
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole?
The IUPAC name of 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole (CID 3019148) is 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole.
What is the SMILES notation for 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole?
The canonical SMILES for 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole is COc1cc(OC)c(C=CC2N(C)c3ccccc3C2(C)C)c(OC)c1.
What is the InChIKey of 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole?
The InChIKey is JFOBLRLJJPZPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO3/c1-22(2)17-9-7-8-10-18(17)23(3)21(22)12-11-16-19(25-5)13-15(24-4)14-20(16)26-6/h7-14,21H,1-6H3.
What are the key properties of 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole?
1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole has a molecular weight of 353.46 g/mol, XLogP of 4.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethyl-2-[2-(2,4,6-trimethoxyphenyl)ethenyl]-2H-indole is sourced from PubChem (CID 3019148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).