ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid

C14H16O5 — CID 174790356

IUPACethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid
SMILESC=COC(C)=O.COc1ccccc1C=CC(=O)O
InChIInChI=1S/C10H10O3.C4H6O2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;1-3-6-4(2)5/h2-7H,1H3,(H,11,12);3H,1H2,2H3
InChIKeyCCICTCSZNPENGS-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.49
Rot. Bonds4

About ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid

ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid (PubChem CID 174790356) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid.

Molecular Properties

Compound Nameethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid
PubChem CID174790356
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid
SMILESC=COC(C)=O.COc1ccccc1C=CC(=O)O
InChIInChI=1S/C10H10O3.C4H6O2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;1-3-6-4(2)5/h2-7H,1H3,(H,11,12);3H,1H2,2H3
InChIKeyCCICTCSZNPENGS-UHFFFAOYSA-N
XLogP2.49
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-[2-[2-(2-methoxyphenoxy)ethoxy]phenyl]prop-2-enoic acid
CID 22685156
(Z)-3-(2-methoxyphenyl)-1-phenylprop-2-en-1-one
CID 25021886
but-2-enedioic acid;ethenyl acetate;styrene
CID 159833587
(1E,6E)-5-hydroxy-1,7-bis(2-methoxyphenyl)hepta-1,4,6-trien-3-one
CID 153275178
3-(2-prop-2-enoyloxyphenyl)prop-2-enoic acid
CID 57198834
(E)-3-(3-methoxy-2-prop-2-enoxyphenyl)prop-2-enoic acid
CID 43471785
bis((Z)-but-2-enedioic acid);ethenyl acetate
CID 172778933
[2-[3-(2-methoxyphenyl)prop-2-enoyl]phenyl] acetate
CID 71385450
N-hydroxy-3-(2-methoxyphenyl)prop-2-enamide
CID 123173944
3-(2-pent-4-enoxyphenyl)prop-2-enoic acid
CID 77034106
(E)-3-[2-(hydroxymethyl)-3-methoxyphenyl]prop-2-enoic acid
CID 153427172
(E)-3-[3-methoxy-2-(2-methylprop-2-enoxy)phenyl]prop-2-enoic acid
CID 43471828

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid?
The IUPAC name of ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid (CID 174790356) is ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid.
What is the SMILES notation for ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid?
The canonical SMILES for ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid is C=COC(C)=O.COc1ccccc1C=CC(=O)O.
What is the InChIKey of ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid?
The InChIKey is CCICTCSZNPENGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C4H6O2/c1-13-9-5-3-2-4-8(9)6-7-10(11)12;1-3-6-4(2)5/h2-7H,1H3,(H,11,12);3H,1H2,2H3.
What are the key properties of ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid?
ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid has a molecular weight of 264.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;3-(2-methoxyphenyl)prop-2-enoic acid is sourced from PubChem (CID 174790356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).