(E)-3-phenoxy-3-phenylprop-2-enenitrile

C15H11NO — CID 66560639

IUPAC(E)-3-phenoxy-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-11H/b15-11+
InChIKeySZTRKVZVZXNZAM-RVDMUPIBSA-N
MW221.26 g/mol
LogP3.63
Rot. Bonds3

About (E)-3-phenoxy-3-phenylprop-2-enenitrile

(E)-3-phenoxy-3-phenylprop-2-enenitrile (PubChem CID 66560639) has the molecular formula C15H11NO and a molecular weight of 221.26 g/mol. Its IUPAC name is (E)-3-phenoxy-3-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-phenoxy-3-phenylprop-2-enenitrile
PubChem CID66560639
Molecular FormulaC15H11NO
Molecular Weight221.26 g/mol
Exact Mass221.08
IUPAC Name(E)-3-phenoxy-3-phenylprop-2-enenitrile
SMILESN#C/C=C(/Oc1ccccc1)c1ccccc1
InChIInChI=1S/C15H11NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-11H/b15-11+
InChIKeySZTRKVZVZXNZAM-RVDMUPIBSA-N
XLogP3.63
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-phenoxy-3-phenylprop-2-enenitrile?
The IUPAC name of (E)-3-phenoxy-3-phenylprop-2-enenitrile (CID 66560639) is (E)-3-phenoxy-3-phenylprop-2-enenitrile.
What is the SMILES notation for (E)-3-phenoxy-3-phenylprop-2-enenitrile?
The canonical SMILES for (E)-3-phenoxy-3-phenylprop-2-enenitrile is N#C/C=C(/Oc1ccccc1)c1ccccc1.
What is the InChIKey of (E)-3-phenoxy-3-phenylprop-2-enenitrile?
The InChIKey is SZTRKVZVZXNZAM-RVDMUPIBSA-N. The full InChI is InChI=1S/C15H11NO/c16-12-11-15(13-7-3-1-4-8-13)17-14-9-5-2-6-10-14/h1-11H/b15-11+.
What are the key properties of (E)-3-phenoxy-3-phenylprop-2-enenitrile?
(E)-3-phenoxy-3-phenylprop-2-enenitrile has a molecular weight of 221.26 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-phenoxy-3-phenylprop-2-enenitrile is sourced from PubChem (CID 66560639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).