ethenyl acetate;4-methoxybenzoic acid

C12H14O5 — CID 174932514

IUPACethenyl acetate;4-methoxybenzoic acid
SMILESC=COC(C)=O.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.C4H6O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H,1H2,2H3
InChIKeyHFNSJOFJNGCIRQ-UHFFFAOYSA-N
MW238.24 g/mol
LogP2.09
Rot. Bonds3

About ethenyl acetate;4-methoxybenzoic acid

ethenyl acetate;4-methoxybenzoic acid (PubChem CID 174932514) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is ethenyl acetate;4-methoxybenzoic acid.

Molecular Properties

Compound Nameethenyl acetate;4-methoxybenzoic acid
PubChem CID174932514
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Nameethenyl acetate;4-methoxybenzoic acid
SMILESC=COC(C)=O.COc1ccc(C(=O)O)cc1
InChIInChI=1S/C8H8O3.C4H6O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H,1H2,2H3
InChIKeyHFNSJOFJNGCIRQ-UHFFFAOYSA-N
XLogP2.09
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-methoxybenzoic acid;silver
CID 140722019
4-methoxybenzoic acid;hydrobromide
CID 172731707
ethenyl 4-methoxybenzoate;propan-2-one
CID 70140612
dipotassium;hydride;bis(4-methoxybenzoic acid)
CID 174966715
ethyl acetate;4-methoxybenzoic acid
CID 158342660
4-methoxybenzoic acid;1-methoxy-4-methylbenzene
CID 18916324
tris(benzene-1,2,3,4,5,6-hexacarboxylic acid);ethenyl acetate
CID 174249995
1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;terephthalic acid
CID 22421309
CID 16732361
CID 16732361
ethenyl acetate
CID 7904
4-methoxybenzoic acid;pyridine
CID 174860408
4-[3-(4-methoxyphenyl)propyl]benzoic acid
CID 102282707

Frequently Asked Questions

What is the IUPAC name of ethenyl acetate;4-methoxybenzoic acid?
The IUPAC name of ethenyl acetate;4-methoxybenzoic acid (CID 174932514) is ethenyl acetate;4-methoxybenzoic acid.
What is the SMILES notation for ethenyl acetate;4-methoxybenzoic acid?
The canonical SMILES for ethenyl acetate;4-methoxybenzoic acid is C=COC(C)=O.COc1ccc(C(=O)O)cc1.
What is the InChIKey of ethenyl acetate;4-methoxybenzoic acid?
The InChIKey is HFNSJOFJNGCIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3.C4H6O2/c1-11-7-4-2-6(3-5-7)8(9)10;1-3-6-4(2)5/h2-5H,1H3,(H,9,10);3H,1H2,2H3.
What are the key properties of ethenyl acetate;4-methoxybenzoic acid?
ethenyl acetate;4-methoxybenzoic acid has a molecular weight of 238.24 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl acetate;4-methoxybenzoic acid is sourced from PubChem (CID 174932514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).