ethyl acetate;ethyl (E)-3-phenylprop-2-enoate

C15H20O4 — CID 163289975

IUPACethyl acetate;ethyl (E)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1.CCOC(C)=O
InChIInChI=1S/C11H12O2.C4H8O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;1-3-6-4(2)5/h3-9H,2H2,1H3;3H2,1-2H3/b9-8+;
InChIKeyZIDBXPDNJMGUHL-HRNDJLQDSA-N
MW264.32 g/mol
LogP2.83
Rot. Bonds4

About ethyl acetate;ethyl (E)-3-phenylprop-2-enoate

ethyl acetate;ethyl (E)-3-phenylprop-2-enoate (PubChem CID 163289975) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is ethyl acetate;ethyl (E)-3-phenylprop-2-enoate.

Molecular Properties

Compound Nameethyl acetate;ethyl (E)-3-phenylprop-2-enoate
PubChem CID163289975
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Nameethyl acetate;ethyl (E)-3-phenylprop-2-enoate
SMILESCCOC(=O)/C=C/c1ccccc1.CCOC(C)=O
InChIInChI=1S/C11H12O2.C4H8O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;1-3-6-4(2)5/h3-9H,2H2,1H3;3H2,1-2H3/b9-8+;
InChIKeyZIDBXPDNJMGUHL-HRNDJLQDSA-N
XLogP2.83
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl acetate;(Z)-3-phenylprop-2-enoic acid
CID 174849368
ethyl acetate;stilbene
CID 159556390
2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
ethyl (4E)-5-phenylpenta-2,4-dienoate
CID 173106795
ethyl (E)-3-(4-benzylphenyl)prop-2-enoate
CID 67528407
ethyl 3-(4-benzoylphenyl)prop-2-enoate
CID 73018400
ethyl 3-[4-(N-[4-(3-ethoxy-3-oxoprop-1-enyl)phenyl]anilino)phenyl]prop-2-enoate
CID 139035919
ethyl (E)-3-(4-phenylsulfanylphenyl)prop-2-enoate
CID 86645813
3-[(E)-3-ethoxy-3-oxoprop-1-enyl]benzoic acid
CID 10489084
ethyl (E)-3-(3-formylphenyl)prop-2-enoate
CID 11310219
ethyl 3-phenylprop-2-enoate;7-oxabicyclo[2.2.1]hept-2-ene
CID 174846165
ethyl acetate;toluene
CID 66707740

Frequently Asked Questions

What is the IUPAC name of ethyl acetate;ethyl (E)-3-phenylprop-2-enoate?
The IUPAC name of ethyl acetate;ethyl (E)-3-phenylprop-2-enoate (CID 163289975) is ethyl acetate;ethyl (E)-3-phenylprop-2-enoate.
What is the SMILES notation for ethyl acetate;ethyl (E)-3-phenylprop-2-enoate?
The canonical SMILES for ethyl acetate;ethyl (E)-3-phenylprop-2-enoate is CCOC(=O)/C=C/c1ccccc1.CCOC(C)=O.
What is the InChIKey of ethyl acetate;ethyl (E)-3-phenylprop-2-enoate?
The InChIKey is ZIDBXPDNJMGUHL-HRNDJLQDSA-N. The full InChI is InChI=1S/C11H12O2.C4H8O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10;1-3-6-4(2)5/h3-9H,2H2,1H3;3H2,1-2H3/b9-8+;.
What are the key properties of ethyl acetate;ethyl (E)-3-phenylprop-2-enoate?
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate has a molecular weight of 264.32 g/mol, XLogP of 2.83, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl acetate;ethyl (E)-3-phenylprop-2-enoate is sourced from PubChem (CID 163289975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).