2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole

C19H21NO3 — CID 90680785

IUPAC2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole
SMILESCOc1ccc2c(c1)c(C)c(-c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C19H21NO3/c1-12-15-11-14(21-3)7-8-16(15)20(2)19(12)13-6-9-17(22-4)18(10-13)23-5/h6-11H,1-5H3
InChIKeySTAXGIBBSVZVCS-UHFFFAOYSA-N
MW311.38 g/mol
LogP4.18
Rot. Bonds4

About 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole

2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole (PubChem CID 90680785) has the molecular formula C19H21NO3 and a molecular weight of 311.38 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole
PubChem CID90680785
Molecular FormulaC19H21NO3
Molecular Weight311.38 g/mol
Exact Mass311.15
IUPAC Name2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole
SMILESCOc1ccc2c(c1)c(C)c(-c1ccc(OC)c(OC)c1)n2C
InChIInChI=1S/C19H21NO3/c1-12-15-11-14(21-3)7-8-16(15)20(2)19(12)13-6-9-17(22-4)18(10-13)23-5/h6-11H,1-5H3
InChIKeySTAXGIBBSVZVCS-UHFFFAOYSA-N
XLogP4.18
TPSA32.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole (CID 90680785) is 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole is COc1ccc2c(c1)c(C)c(-c1ccc(OC)c(OC)c1)n2C.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole?
The InChIKey is STAXGIBBSVZVCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21NO3/c1-12-15-11-14(21-3)7-8-16(15)20(2)19(12)13-6-9-17(22-4)18(10-13)23-5/h6-11H,1-5H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole?
2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole has a molecular weight of 311.38 g/mol, XLogP of 4.18, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-5-methoxy-1,3-dimethylindole is sourced from PubChem (CID 90680785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).