ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate

C18H15NO2 — CID 67461970

IUPACethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(-c2ccccc2)cc1C#N
InChIInChI=1S/C18H15NO2/c1-2-21-18(20)11-10-15-8-9-16(12-17(15)13-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyXRWNYKKIDJKRCT-UHFFFAOYSA-N
MW277.32 g/mol
LogP3.80
Rot. Bonds4

About ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate

ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate (PubChem CID 67461970) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate
PubChem CID67461970
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Nameethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate
SMILESCCOC(=O)C=Cc1ccc(-c2ccccc2)cc1C#N
InChIInChI=1S/C18H15NO2/c1-2-21-18(20)11-10-15-8-9-16(12-17(15)13-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3
InChIKeyXRWNYKKIDJKRCT-UHFFFAOYSA-N
XLogP3.80
TPSA50.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[2-cyano-4-(trifluoromethyl)phenyl]prop-2-enoate
CID 169481036
ethyl (E)-3-(2-cyano-5-fluorophenyl)prop-2-enoate
CID 57408075
ethyl (E)-3-(3,5-diphenylphenyl)prop-2-enoate
CID 22557638
ethyl 3-(4-cyano-2-methoxyphenyl)prop-2-enoate
CID 169481283
ethyl 3-(4-cyano-2-nitrophenyl)prop-2-enoate
CID 57056686
ethyl 3-(2-amino-5-cyanophenyl)prop-2-enoate
CID 169480310
2-methylpropyl (E)-3-(2-cyanophenyl)prop-2-enoate
CID 175176691
ethyl 3-(2-amino-4-nitrophenyl)prop-2-enoate
CID 169480615
ethyl (Z)-3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 135341226
ethyl 3-(3-amino-2-cyanophenyl)prop-2-enoate
CID 169480315
ethyl 3-[3-[4-(aminomethyl)phenyl]phenyl]prop-2-enoate
CID 174410498
ethyl (E)-3-[8-[(E)-3-ethoxy-3-oxoprop-1-enyl]-6-phenylindolizin-3-yl]prop-2-enoate
CID 71559632

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate?
The IUPAC name of ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate (CID 67461970) is ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate is CCOC(=O)C=Cc1ccc(-c2ccccc2)cc1C#N.
What is the InChIKey of ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate?
The InChIKey is XRWNYKKIDJKRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-2-21-18(20)11-10-15-8-9-16(12-17(15)13-19)14-6-4-3-5-7-14/h3-12H,2H2,1H3.
What are the key properties of ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate?
ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate has a molecular weight of 277.32 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-cyano-4-phenylphenyl)prop-2-enoate is sourced from PubChem (CID 67461970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).