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

C25H25NO4 — CID 122183352

IUPAC5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(Cc3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C25H25NO4/c1-27-18-10-11-21-19(15-18)20(24(26-21)17-8-6-5-7-9-17)12-16-13-22(28-2)25(30-4)23(14-16)29-3/h5-11,13-15,26H,12H2,1-4H3
InChIKeyXGKXJYIZUOJWBW-UHFFFAOYSA-N
MW403.48 g/mol
LogP5.46
Rot. Bonds7

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

5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (PubChem CID 122183352) has the molecular formula C25H25NO4 and a molecular weight of 403.48 g/mol. Its IUPAC name is 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.

Molecular Properties

Compound Name5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
PubChem CID122183352
Molecular FormulaC25H25NO4
Molecular Weight403.48 g/mol
Exact Mass403.18
IUPAC Name5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole
SMILESCOc1ccc2[nH]c(-c3ccccc3)c(Cc3cc(OC)c(OC)c(OC)c3)c2c1
InChIInChI=1S/C25H25NO4/c1-27-18-10-11-21-19(15-18)20(24(26-21)17-8-6-5-7-9-17)12-16-13-22(28-2)25(30-4)23(14-16)29-3/h5-11,13-15,26H,12H2,1-4H3
InChIKeyXGKXJYIZUOJWBW-UHFFFAOYSA-N
XLogP5.46
TPSA52.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.48
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The IUPAC name of 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole (CID 122183352) is 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole.
What is the SMILES notation for 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The canonical SMILES for 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is COc1ccc2[nH]c(-c3ccccc3)c(Cc3cc(OC)c(OC)c(OC)c3)c2c1.
What is the InChIKey of 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
The InChIKey is XGKXJYIZUOJWBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25NO4/c1-27-18-10-11-21-19(15-18)20(24(26-21)17-8-6-5-7-9-17)12-16-13-22(28-2)25(30-4)23(14-16)29-3/h5-11,13-15,26H,12H2,1-4H3.
What are the key properties of 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole?
5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole has a molecular weight of 403.48 g/mol, XLogP of 5.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-phenyl-3-[(3,4,5-trimethoxyphenyl)methyl]-1H-indole is sourced from PubChem (CID 122183352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).