2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile

C17H14N2O — CID 174993082

IUPAC2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
SMILESCc1cc2c(OCc3ccccc3)ccc(C#N)c2[nH]1
InChIInChI=1S/C17H14N2O/c1-12-9-15-16(8-7-14(10-18)17(15)19-12)20-11-13-5-3-2-4-6-13/h2-9,19H,11H2,1H3
InChIKeyOOKKSDRNQXGJBB-UHFFFAOYSA-N
MW262.31 g/mol
LogP3.93
Rot. Bonds3

About 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile

2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile (PubChem CID 174993082) has the molecular formula C17H14N2O and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile.

Molecular Properties

Compound Name2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
PubChem CID174993082
Molecular FormulaC17H14N2O
Molecular Weight262.31 g/mol
Exact Mass262.11
IUPAC Name2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile
SMILESCc1cc2c(OCc3ccccc3)ccc(C#N)c2[nH]1
InChIInChI=1S/C17H14N2O/c1-12-9-15-16(8-7-14(10-18)17(15)19-12)20-11-13-5-3-2-4-6-13/h2-9,19H,11H2,1H3
InChIKeyOOKKSDRNQXGJBB-UHFFFAOYSA-N
XLogP3.93
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-nitro-2-phenylmethoxybenzonitrile
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4-(4-methoxy-3-phenylmethoxyphenyl)-6-methyl-2-oxo-1H-pyridine-3-carbonitrile
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6-methyl-4-(4-methyl-2-phenylmethoxyphenyl)-2-oxo-1H-pyridine-3-carbonitrile
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile?
The IUPAC name of 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile (CID 174993082) is 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile.
What is the SMILES notation for 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile?
The canonical SMILES for 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile is Cc1cc2c(OCc3ccccc3)ccc(C#N)c2[nH]1.
What is the InChIKey of 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile?
The InChIKey is OOKKSDRNQXGJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O/c1-12-9-15-16(8-7-14(10-18)17(15)19-12)20-11-13-5-3-2-4-6-13/h2-9,19H,11H2,1H3.
What are the key properties of 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile?
2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile has a molecular weight of 262.31 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-phenylmethoxy-1H-indole-7-carbonitrile is sourced from PubChem (CID 174993082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).