2-(2-methylphenyl)-3-phenylpentanedinitrile

C18H16N2 — CID 3444407

IUPAC2-(2-methylphenyl)-3-phenylpentanedinitrile
SMILESCc1ccccc1C(C#N)C(CC#N)c1ccccc1
InChIInChI=1S/C18H16N2/c1-14-7-5-6-10-16(14)18(13-20)17(11-12-19)15-8-3-2-4-9-15/h2-10,17-18H,11H2,1H3
InChIKeyGFTNSHSIKCZDTP-UHFFFAOYSA-N
MW260.34 g/mol
LogP4.30
Rot. Bonds4

About 2-(2-methylphenyl)-3-phenylpentanedinitrile

2-(2-methylphenyl)-3-phenylpentanedinitrile (PubChem CID 3444407) has the molecular formula C18H16N2 and a molecular weight of 260.34 g/mol. Its IUPAC name is 2-(2-methylphenyl)-3-phenylpentanedinitrile.

Molecular Properties

Compound Name2-(2-methylphenyl)-3-phenylpentanedinitrile
PubChem CID3444407
Molecular FormulaC18H16N2
Molecular Weight260.34 g/mol
Exact Mass260.13
IUPAC Name2-(2-methylphenyl)-3-phenylpentanedinitrile
SMILESCc1ccccc1C(C#N)C(CC#N)c1ccccc1
InChIInChI=1S/C18H16N2/c1-14-7-5-6-10-16(14)18(13-20)17(11-12-19)15-8-3-2-4-9-15/h2-10,17-18H,11H2,1H3
InChIKeyGFTNSHSIKCZDTP-UHFFFAOYSA-N
XLogP4.30
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methylphenyl)-3-phenylpentanedinitrile?
The IUPAC name of 2-(2-methylphenyl)-3-phenylpentanedinitrile (CID 3444407) is 2-(2-methylphenyl)-3-phenylpentanedinitrile.
What is the SMILES notation for 2-(2-methylphenyl)-3-phenylpentanedinitrile?
The canonical SMILES for 2-(2-methylphenyl)-3-phenylpentanedinitrile is Cc1ccccc1C(C#N)C(CC#N)c1ccccc1.
What is the InChIKey of 2-(2-methylphenyl)-3-phenylpentanedinitrile?
The InChIKey is GFTNSHSIKCZDTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2/c1-14-7-5-6-10-16(14)18(13-20)17(11-12-19)15-8-3-2-4-9-15/h2-10,17-18H,11H2,1H3.
What are the key properties of 2-(2-methylphenyl)-3-phenylpentanedinitrile?
2-(2-methylphenyl)-3-phenylpentanedinitrile has a molecular weight of 260.34 g/mol, XLogP of 4.30, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylphenyl)-3-phenylpentanedinitrile is sourced from PubChem (CID 3444407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).