5,6-dimethoxy-2-phenyl-1H-indole

C16H15NO2 — CID 4066504

IUPAC5,6-dimethoxy-2-phenyl-1H-indole
SMILESCOc1cc2cc(-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C16H15NO2/c1-18-15-9-12-8-13(11-6-4-3-5-7-11)17-14(12)10-16(15)19-2/h3-10,17H,1-2H3
InChIKeyVXTHRFKFXIWSTO-UHFFFAOYSA-N
MW253.30 g/mol
LogP3.85
Rot. Bonds3

About 5,6-dimethoxy-2-phenyl-1H-indole

5,6-dimethoxy-2-phenyl-1H-indole (PubChem CID 4066504) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 5,6-dimethoxy-2-phenyl-1H-indole.

Molecular Properties

Compound Name5,6-dimethoxy-2-phenyl-1H-indole
PubChem CID4066504
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name5,6-dimethoxy-2-phenyl-1H-indole
SMILESCOc1cc2cc(-c3ccccc3)[nH]c2cc1OC
InChIInChI=1S/C16H15NO2/c1-18-15-9-12-8-13(11-6-4-3-5-7-11)17-14(12)10-16(15)19-2/h3-10,17H,1-2H3
InChIKeyVXTHRFKFXIWSTO-UHFFFAOYSA-N
XLogP3.85
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-2-phenyl-1H-indole?
The IUPAC name of 5,6-dimethoxy-2-phenyl-1H-indole (CID 4066504) is 5,6-dimethoxy-2-phenyl-1H-indole.
What is the SMILES notation for 5,6-dimethoxy-2-phenyl-1H-indole?
The canonical SMILES for 5,6-dimethoxy-2-phenyl-1H-indole is COc1cc2cc(-c3ccccc3)[nH]c2cc1OC.
What is the InChIKey of 5,6-dimethoxy-2-phenyl-1H-indole?
The InChIKey is VXTHRFKFXIWSTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-18-15-9-12-8-13(11-6-4-3-5-7-11)17-14(12)10-16(15)19-2/h3-10,17H,1-2H3.
What are the key properties of 5,6-dimethoxy-2-phenyl-1H-indole?
5,6-dimethoxy-2-phenyl-1H-indole has a molecular weight of 253.30 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-2-phenyl-1H-indole is sourced from PubChem (CID 4066504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).