1-benzyl-3-(3,5-dimethoxyphenyl)indole

C23H21NO2 — CID 66552988

IUPAC1-benzyl-3-(3,5-dimethoxyphenyl)indole
SMILESCOc1cc(OC)cc(-c2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H21NO2/c1-25-19-12-18(13-20(14-19)26-2)22-16-24(15-17-8-4-3-5-9-17)23-11-7-6-10-21(22)23/h3-14,16H,15H2,1-2H3
InChIKeyRNDZFZPMGNWYEB-UHFFFAOYSA-N
MW343.43 g/mol
LogP5.37
Rot. Bonds5

About 1-benzyl-3-(3,5-dimethoxyphenyl)indole

1-benzyl-3-(3,5-dimethoxyphenyl)indole (PubChem CID 66552988) has the molecular formula C23H21NO2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-benzyl-3-(3,5-dimethoxyphenyl)indole.

Molecular Properties

Compound Name1-benzyl-3-(3,5-dimethoxyphenyl)indole
PubChem CID66552988
Molecular FormulaC23H21NO2
Molecular Weight343.43 g/mol
Exact Mass343.16
IUPAC Name1-benzyl-3-(3,5-dimethoxyphenyl)indole
SMILESCOc1cc(OC)cc(-c2cn(Cc3ccccc3)c3ccccc23)c1
InChIInChI=1S/C23H21NO2/c1-25-19-12-18(13-20(14-19)26-2)22-16-24(15-17-8-4-3-5-9-17)23-11-7-6-10-21(22)23/h3-14,16H,15H2,1-2H3
InChIKeyRNDZFZPMGNWYEB-UHFFFAOYSA-N
XLogP5.37
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.43
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(3,5-dimethoxyphenyl)indole?
The IUPAC name of 1-benzyl-3-(3,5-dimethoxyphenyl)indole (CID 66552988) is 1-benzyl-3-(3,5-dimethoxyphenyl)indole.
What is the SMILES notation for 1-benzyl-3-(3,5-dimethoxyphenyl)indole?
The canonical SMILES for 1-benzyl-3-(3,5-dimethoxyphenyl)indole is COc1cc(OC)cc(-c2cn(Cc3ccccc3)c3ccccc23)c1.
What is the InChIKey of 1-benzyl-3-(3,5-dimethoxyphenyl)indole?
The InChIKey is RNDZFZPMGNWYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO2/c1-25-19-12-18(13-20(14-19)26-2)22-16-24(15-17-8-4-3-5-9-17)23-11-7-6-10-21(22)23/h3-14,16H,15H2,1-2H3.
What are the key properties of 1-benzyl-3-(3,5-dimethoxyphenyl)indole?
1-benzyl-3-(3,5-dimethoxyphenyl)indole has a molecular weight of 343.43 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(3,5-dimethoxyphenyl)indole is sourced from PubChem (CID 66552988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).