4-phenylmethoxy-1H-indole-3-carbonitrile

C16H12N2O — CID 12798006

IUPAC4-phenylmethoxy-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C16H12N2O/c17-9-13-10-18-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-8,10,18H,11H2
InChIKeyRGQPAXBKIQAKAG-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.62
Rot. Bonds3

About 4-phenylmethoxy-1H-indole-3-carbonitrile

4-phenylmethoxy-1H-indole-3-carbonitrile (PubChem CID 12798006) has the molecular formula C16H12N2O and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-phenylmethoxy-1H-indole-3-carbonitrile.

Molecular Properties

Compound Name4-phenylmethoxy-1H-indole-3-carbonitrile
PubChem CID12798006
Molecular FormulaC16H12N2O
Molecular Weight248.28 g/mol
Exact Mass248.09
IUPAC Name4-phenylmethoxy-1H-indole-3-carbonitrile
SMILESN#Cc1c[nH]c2cccc(OCc3ccccc3)c12
InChIInChI=1S/C16H12N2O/c17-9-13-10-18-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-8,10,18H,11H2
InChIKeyRGQPAXBKIQAKAG-UHFFFAOYSA-N
XLogP3.62
TPSA48.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-phenylmethoxy-1H-indol-3-yl)ethanone
CID 158905078
2-phenylmethoxybenzonitrile;propane
CID 142369146
2-oxo-2-(4-phenylmethoxy-1H-indol-3-yl)acetyl chloride
CID 144992404
N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]-N-propan-2-ylpropan-2-amine;hydrochloride
CID 24801934
N-methyl-N-[2-(4-phenylmethoxy-1H-indol-3-yl)ethyl]propan-2-amine
CID 156852024
4-phenylmethoxy-3-piperidin-3-yl-1H-indole
CID 82212323
3-phenylmethoxynaphthalene-2-carbonitrile
CID 86260131
4-phenylmethoxynaphthalene-1-carbonitrile
CID 23318695
3-fluoro-2-(2-phenylmethoxyphenyl)benzonitrile
CID 169493439
3-(3-cyano-1H-indol-4-yl)-5-phenylpentanoic acid
CID 174566843
4-methoxy-N-[(4-phenylmethoxy-1H-indol-3-yl)methylideneamino]aniline
CID 174201538
3-[(2-cyanophenoxy)methyl]benzoic acid
CID 24708246

Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxy-1H-indole-3-carbonitrile?
The IUPAC name of 4-phenylmethoxy-1H-indole-3-carbonitrile (CID 12798006) is 4-phenylmethoxy-1H-indole-3-carbonitrile.
What is the SMILES notation for 4-phenylmethoxy-1H-indole-3-carbonitrile?
The canonical SMILES for 4-phenylmethoxy-1H-indole-3-carbonitrile is N#Cc1c[nH]c2cccc(OCc3ccccc3)c12.
What is the InChIKey of 4-phenylmethoxy-1H-indole-3-carbonitrile?
The InChIKey is RGQPAXBKIQAKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O/c17-9-13-10-18-14-7-4-8-15(16(13)14)19-11-12-5-2-1-3-6-12/h1-8,10,18H,11H2.
What are the key properties of 4-phenylmethoxy-1H-indole-3-carbonitrile?
4-phenylmethoxy-1H-indole-3-carbonitrile has a molecular weight of 248.28 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxy-1H-indole-3-carbonitrile is sourced from PubChem (CID 12798006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).