5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol

C24H23NO3 — CID 135033807

IUPAC5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol
SMILESCOc1cc(C2(Cc3ccccc3)C(C)=Nc3ccccc32)cc(O)c1OC
InChIInChI=1S/C24H23NO3/c1-16-24(15-17-9-5-4-6-10-17,19-11-7-8-12-20(19)25-16)18-13-21(26)23(28-3)22(14-18)27-2/h4-14,26H,15H2,1-3H3
InChIKeySAJHILSQCKIGKU-UHFFFAOYSA-N
MW373.45 g/mol
LogP5.04
Rot. Bonds5

About 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol

5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol (PubChem CID 135033807) has the molecular formula C24H23NO3 and a molecular weight of 373.45 g/mol. Its IUPAC name is 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol.

Molecular Properties

Compound Name5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol
PubChem CID135033807
Molecular FormulaC24H23NO3
Molecular Weight373.45 g/mol
Exact Mass373.17
IUPAC Name5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol
SMILESCOc1cc(C2(Cc3ccccc3)C(C)=Nc3ccccc32)cc(O)c1OC
InChIInChI=1S/C24H23NO3/c1-16-24(15-17-9-5-4-6-10-17,19-11-7-8-12-20(19)25-16)18-13-21(26)23(28-3)22(14-18)27-2/h4-14,26H,15H2,1-3H3
InChIKeySAJHILSQCKIGKU-UHFFFAOYSA-N
XLogP5.04
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol?
The IUPAC name of 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol (CID 135033807) is 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol.
What is the SMILES notation for 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol?
The canonical SMILES for 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol is COc1cc(C2(Cc3ccccc3)C(C)=Nc3ccccc32)cc(O)c1OC.
What is the InChIKey of 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol?
The InChIKey is SAJHILSQCKIGKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO3/c1-16-24(15-17-9-5-4-6-10-17,19-11-7-8-12-20(19)25-16)18-13-21(26)23(28-3)22(14-18)27-2/h4-14,26H,15H2,1-3H3.
What are the key properties of 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol?
5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol has a molecular weight of 373.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-benzyl-2-methylindol-3-yl)-2,3-dimethoxyphenol is sourced from PubChem (CID 135033807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).