2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

C24H23NO3 — CID 71546977

IUPAC2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H23NO3/c1-26-21-14-16(15-22(27-2)24(21)28-3)13-19-18-11-7-8-12-20(18)25-23(19)17-9-5-4-6-10-17/h4-12,14-15,25H,13H2,1-3H3
InChIKeyWUMNMBFXRLJISW-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.45
Rot. Bonds6

About 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole

2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (PubChem CID 71546977) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
PubChem CID71546977
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1cc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC
InChIInChI=1S/C24H23NO3/c1-26-21-14-16(15-22(27-2)24(21)28-3)13-19-18-11-7-8-12-20(18)25-23(19)17-9-5-4-6-10-17/h4-12,14-15,25H,13H2,1-3H3
InChIKeyWUMNMBFXRLJISW-UHFFFAOYSA-N
XLogP5.45
TPSA43.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (CID 71546977) is 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is COc1cc(Cc2c(-c3ccccc3)[nH]c3ccccc23)cc(OC)c1OC.
What is the InChIKey of 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The InChIKey is WUMNMBFXRLJISW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-26-21-14-16(15-22(27-2)24(21)28-3)13-19-18-11-7-8-12-20(18)25-23(19)17-9-5-4-6-10-17/h4-12,14-15,25H,13H2,1-3H3.
What are the key properties of 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole has a molecular weight of 373.45 g/mol, XLogP of 5.45, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 71546977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).