acetyl 3-phenylprop-2-enoate

C11H10O3 — CID 57206996

IUPACacetyl 3-phenylprop-2-enoate
SMILESCC(=O)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C11H10O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyUOUJJPOHGGARHE-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.79
Rot. Bonds2

About acetyl 3-phenylprop-2-enoate

acetyl 3-phenylprop-2-enoate (PubChem CID 57206996) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is acetyl 3-phenylprop-2-enoate.

Molecular Properties

Compound Nameacetyl 3-phenylprop-2-enoate
PubChem CID57206996
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Nameacetyl 3-phenylprop-2-enoate
SMILESCC(=O)OC(=O)C=Cc1ccccc1
InChIInChI=1S/C11H10O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h2-8H,1H3
InChIKeyUOUJJPOHGGARHE-UHFFFAOYSA-N
XLogP1.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

2-acetyloxyethyl 3-phenylprop-2-enoate
CID 137478335
[(E)-4-oxo-4-phenylbut-2-en-2-yl] 3-phenylprop-2-enoate
CID 169006927
ethyl acetate;ethyl (E)-3-phenylprop-2-enoate
CID 163289975
3-methylbut-2-enoic acid;methyl 3-phenylprop-2-enoate
CID 70180890
ethane;phenyl 3-phenylprop-2-enoate
CID 90878305
methyl 3-[4-(2-phenylethenyl)phenyl]prop-2-enoate
CID 622059
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647
lanthanum;(E)-3-phenylprop-2-eneperoxoic acid
CID 122589716
amino 3-phenylprop-2-enoate
CID 67189797
dimethylamino (E)-3-phenylprop-2-enoate
CID 174325231
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275

Frequently Asked Questions

What is the IUPAC name of acetyl 3-phenylprop-2-enoate?
The IUPAC name of acetyl 3-phenylprop-2-enoate (CID 57206996) is acetyl 3-phenylprop-2-enoate.
What is the SMILES notation for acetyl 3-phenylprop-2-enoate?
The canonical SMILES for acetyl 3-phenylprop-2-enoate is CC(=O)OC(=O)C=Cc1ccccc1.
What is the InChIKey of acetyl 3-phenylprop-2-enoate?
The InChIKey is UOUJJPOHGGARHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-9(12)14-11(13)8-7-10-5-3-2-4-6-10/h2-8H,1H3.
What are the key properties of acetyl 3-phenylprop-2-enoate?
acetyl 3-phenylprop-2-enoate has a molecular weight of 190.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyl 3-phenylprop-2-enoate is sourced from PubChem (CID 57206996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).