3,4-dimethoxy-2-phenylbenzonitrile

C15H13NO2 — CID 67635985

IUPAC3,4-dimethoxy-2-phenylbenzonitrile
SMILESCOc1ccc(C#N)c(-c2ccccc2)c1OC
InChIInChI=1S/C15H13NO2/c1-17-13-9-8-12(10-16)14(15(13)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyRTMOYDXZDMXPSP-UHFFFAOYSA-N
MW239.27 g/mol
LogP3.24
Rot. Bonds3

About 3,4-dimethoxy-2-phenylbenzonitrile

3,4-dimethoxy-2-phenylbenzonitrile (PubChem CID 67635985) has the molecular formula C15H13NO2 and a molecular weight of 239.27 g/mol. Its IUPAC name is 3,4-dimethoxy-2-phenylbenzonitrile.

Molecular Properties

Compound Name3,4-dimethoxy-2-phenylbenzonitrile
PubChem CID67635985
Molecular FormulaC15H13NO2
Molecular Weight239.27 g/mol
Exact Mass239.09
IUPAC Name3,4-dimethoxy-2-phenylbenzonitrile
SMILESCOc1ccc(C#N)c(-c2ccccc2)c1OC
InChIInChI=1S/C15H13NO2/c1-17-13-9-8-12(10-16)14(15(13)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3
InChIKeyRTMOYDXZDMXPSP-UHFFFAOYSA-N
XLogP3.24
TPSA42.25 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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5,8-dimethoxynaphthalene-2,3-dicarbonitrile
CID 15323116
tris(4-cyano-2,3-diphenylphenyl) phosphite
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5,6-dimethoxy-2-phenylnaphthalene-1-carbonitrile
CID 11077097
4,8-dimethoxynaphthalene-1-carbonitrile
CID 86178787
2-methoxy-3-phenylbenzonitrile
CID 91276072
2-amino-5,6-dimethoxy-4-phenylquinoline-3-carbonitrile
CID 70227227
4-methoxy-3-phenyl-2-(1H-pyrrolo[3,2-b]pyridin-6-yl)benzonitrile
CID 122622257
4-(2,3,4,5,6-pentakis-phenylphenyl)benzene-1,2-dicarbonitrile
CID 86200455
1,2,3-trimethoxy-4-(2-phenylethynyl)benzene
CID 101461582
2,4-dimethoxy-3-phenylaniline
CID 165495221

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-2-phenylbenzonitrile?
The IUPAC name of 3,4-dimethoxy-2-phenylbenzonitrile (CID 67635985) is 3,4-dimethoxy-2-phenylbenzonitrile.
What is the SMILES notation for 3,4-dimethoxy-2-phenylbenzonitrile?
The canonical SMILES for 3,4-dimethoxy-2-phenylbenzonitrile is COc1ccc(C#N)c(-c2ccccc2)c1OC.
What is the InChIKey of 3,4-dimethoxy-2-phenylbenzonitrile?
The InChIKey is RTMOYDXZDMXPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO2/c1-17-13-9-8-12(10-16)14(15(13)18-2)11-6-4-3-5-7-11/h3-9H,1-2H3.
What are the key properties of 3,4-dimethoxy-2-phenylbenzonitrile?
3,4-dimethoxy-2-phenylbenzonitrile has a molecular weight of 239.27 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-2-phenylbenzonitrile is sourced from PubChem (CID 67635985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).