ethyl 2-(2-phenylphenyl)but-2-enoate

C18H18O2 — CID 141332737

IUPACethyl 2-(2-phenylphenyl)but-2-enoate
SMILESCC=C(C(=O)OCC)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O2/c1-3-15(18(19)20-4-2)17-13-9-8-12-16(17)14-10-6-5-7-11-14/h3,5-13H,4H2,1-2H3
InChIKeyKQXRJHNTYCVZII-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.32
Rot. Bonds4

About ethyl 2-(2-phenylphenyl)but-2-enoate

ethyl 2-(2-phenylphenyl)but-2-enoate (PubChem CID 141332737) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is ethyl 2-(2-phenylphenyl)but-2-enoate.

Molecular Properties

Compound Nameethyl 2-(2-phenylphenyl)but-2-enoate
PubChem CID141332737
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Nameethyl 2-(2-phenylphenyl)but-2-enoate
SMILESCC=C(C(=O)OCC)c1ccccc1-c1ccccc1
InChIInChI=1S/C18H18O2/c1-3-15(18(19)20-4-2)17-13-9-8-12-16(17)14-10-6-5-7-11-14/h3,5-13H,4H2,1-2H3
InChIKeyKQXRJHNTYCVZII-UHFFFAOYSA-N
XLogP4.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-aminophenyl)but-2-enoate
CID 165178823
diethyl 2-[(E)-3-azulen-1-ylprop-2-enylidene]propanedioate
CID 132534724
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
ethyl 2-oxo-4-phenyl-3-[(2-phenylbenzoyl)amino]butanoate
CID 18690973
ethyl (Z)-3-hydroxy-2-phenylprop-2-enoate
CID 12898650
ethyl (Z)-3-amino-2-phenylprop-2-enoate
CID 168921248
ethyl 2-(4-hydroxyphenyl)benzoate
CID 67639185
ethyl 2-methyl-4-(2-phenylphenyl)buta-2,3-dienoate
CID 88812743
ethyl 2-phenylpent-2-enoate
CID 148550128
ethyl 2-(4-fluorophenyl)benzoate
CID 43840259
ethyl 3-fluoro-2-(2-fluorophenyl)prop-2-enoate
CID 144859412
ethyl (E)-2-(4-methylphenyl)but-2-enoate
CID 88506230

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-phenylphenyl)but-2-enoate?
The IUPAC name of ethyl 2-(2-phenylphenyl)but-2-enoate (CID 141332737) is ethyl 2-(2-phenylphenyl)but-2-enoate.
What is the SMILES notation for ethyl 2-(2-phenylphenyl)but-2-enoate?
The canonical SMILES for ethyl 2-(2-phenylphenyl)but-2-enoate is CC=C(C(=O)OCC)c1ccccc1-c1ccccc1.
What is the InChIKey of ethyl 2-(2-phenylphenyl)but-2-enoate?
The InChIKey is KQXRJHNTYCVZII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-15(18(19)20-4-2)17-13-9-8-12-16(17)14-10-6-5-7-11-14/h3,5-13H,4H2,1-2H3.
What are the key properties of ethyl 2-(2-phenylphenyl)but-2-enoate?
ethyl 2-(2-phenylphenyl)but-2-enoate has a molecular weight of 266.34 g/mol, XLogP of 4.32, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-phenylphenyl)but-2-enoate is sourced from PubChem (CID 141332737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).