(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile

C19H11Cl2NO — CID 710532

IUPAC(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H11Cl2NO/c20-15-6-8-18(21)17(11-15)19-9-7-16(23-19)10-14(12-22)13-4-2-1-3-5-13/h1-11H/b14-10+
InChIKeyVUKUVPXFXORTAL-GXDHUFHOSA-N
MW340.21 g/mol
LogP6.32
Rot. Bonds3

About (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile

(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (PubChem CID 710532) has the molecular formula C19H11Cl2NO and a molecular weight of 340.21 g/mol. Its IUPAC name is (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
PubChem CID710532
Molecular FormulaC19H11Cl2NO
Molecular Weight340.21 g/mol
Exact Mass339.02
IUPAC Name(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1
InChIInChI=1S/C19H11Cl2NO/c20-15-6-8-18(21)17(11-15)19-9-7-16(23-19)10-14(12-22)13-4-2-1-3-5-13/h1-11H/b14-10+
InChIKeyVUKUVPXFXORTAL-GXDHUFHOSA-N
XLogP6.32
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.21
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (CID 710532) is (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1ccccc1.
What is the InChIKey of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The InChIKey is VUKUVPXFXORTAL-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H11Cl2NO/c20-15-6-8-18(21)17(11-15)19-9-7-16(23-19)10-14(12-22)13-4-2-1-3-5-13/h1-11H/b14-10+.
What are the key properties of (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
(Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile has a molecular weight of 340.21 g/mol, XLogP of 6.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2,5-dichlorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 710532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).