4-phenylmethoxybenzene-1,2-dicarbonitrile

C15H10N2O — CID 15569251

IUPAC4-phenylmethoxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(OCc2ccccc2)cc1C#N
InChIInChI=1S/C15H10N2O/c16-9-13-6-7-15(8-14(13)10-17)18-11-12-4-2-1-3-5-12/h1-8H,11H2
InChIKeyPCNDQXNVUWDUQH-UHFFFAOYSA-N
MW234.26 g/mol
LogP3.01
Rot. Bonds3

About 4-phenylmethoxybenzene-1,2-dicarbonitrile

4-phenylmethoxybenzene-1,2-dicarbonitrile (PubChem CID 15569251) has the molecular formula C15H10N2O and a molecular weight of 234.26 g/mol. Its IUPAC name is 4-phenylmethoxybenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-phenylmethoxybenzene-1,2-dicarbonitrile
PubChem CID15569251
Molecular FormulaC15H10N2O
Molecular Weight234.26 g/mol
Exact Mass234.08
IUPAC Name4-phenylmethoxybenzene-1,2-dicarbonitrile
SMILESN#Cc1ccc(OCc2ccccc2)cc1C#N
InChIInChI=1S/C15H10N2O/c16-9-13-6-7-15(8-14(13)10-17)18-11-12-4-2-1-3-5-12/h1-8H,11H2
InChIKeyPCNDQXNVUWDUQH-UHFFFAOYSA-N
XLogP3.01
TPSA56.81 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenylmethoxybenzene-1,2-dicarbonitrile?
The IUPAC name of 4-phenylmethoxybenzene-1,2-dicarbonitrile (CID 15569251) is 4-phenylmethoxybenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-phenylmethoxybenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-phenylmethoxybenzene-1,2-dicarbonitrile is N#Cc1ccc(OCc2ccccc2)cc1C#N.
What is the InChIKey of 4-phenylmethoxybenzene-1,2-dicarbonitrile?
The InChIKey is PCNDQXNVUWDUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O/c16-9-13-6-7-15(8-14(13)10-17)18-11-12-4-2-1-3-5-12/h1-8H,11H2.
What are the key properties of 4-phenylmethoxybenzene-1,2-dicarbonitrile?
4-phenylmethoxybenzene-1,2-dicarbonitrile has a molecular weight of 234.26 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenylmethoxybenzene-1,2-dicarbonitrile is sourced from PubChem (CID 15569251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).