6-methoxy-2-methyl-1-phenylindole-3-carbonitrile

C17H14N2O — CID 1207803

IUPAC6-methoxy-2-methyl-1-phenylindole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(C)n(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c1-12-16(11-18)15-9-8-14(20-2)10-17(15)19(12)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyDLQGGRVBDDZTAH-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.82
Rot. Bonds2

About 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile

6-methoxy-2-methyl-1-phenylindole-3-carbonitrile (PubChem CID 1207803) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile.

Molecular Properties

Compound Name6-methoxy-2-methyl-1-phenylindole-3-carbonitrile
PubChem CID1207803
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name6-methoxy-2-methyl-1-phenylindole-3-carbonitrile
SMILESCOc1ccc2c(C#N)c(C)n(-c3ccccc3)c2c1
InChIInChI=1S/C17H14N2O/c1-12-16(11-18)15-9-8-14(20-2)10-17(15)19(12)13-6-4-3-5-7-13/h3-10H,1-2H3
InChIKeyDLQGGRVBDDZTAH-UHFFFAOYSA-N
XLogP3.82
TPSA37.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile?
The IUPAC name of 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile (CID 1207803) is 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile.
What is the SMILES notation for 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile?
The canonical SMILES for 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile is COc1ccc2c(C#N)c(C)n(-c3ccccc3)c2c1.
What is the InChIKey of 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile?
The InChIKey is DLQGGRVBDDZTAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-16(11-18)15-9-8-14(20-2)10-17(15)19(12)13-6-4-3-5-7-13/h3-10H,1-2H3.
What are the key properties of 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile?
6-methoxy-2-methyl-1-phenylindole-3-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-methyl-1-phenylindole-3-carbonitrile is sourced from PubChem (CID 1207803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).