ethenyl 4-methoxybenzoate;propan-2-one

C13H16O4 — CID 70140612

IUPACethenyl 4-methoxybenzoate;propan-2-one
SMILESC=COC(=O)c1ccc(OC)cc1.CC(C)=O
InChIInChI=1S/C10H10O3.C3H6O/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;1-3(2)4/h3-7H,1H2,2H3;1-2H3
InChIKeyFQJMVKHLWHGJEV-UHFFFAOYSA-N
MW236.27 g/mol
LogP2.59
Rot. Bonds3

About ethenyl 4-methoxybenzoate;propan-2-one

ethenyl 4-methoxybenzoate;propan-2-one (PubChem CID 70140612) has the molecular formula C13H16O4 and a molecular weight of 236.27 g/mol. Its IUPAC name is ethenyl 4-methoxybenzoate;propan-2-one.

Molecular Properties

Compound Nameethenyl 4-methoxybenzoate;propan-2-one
PubChem CID70140612
Molecular FormulaC13H16O4
Molecular Weight236.27 g/mol
Exact Mass236.10
IUPAC Nameethenyl 4-methoxybenzoate;propan-2-one
SMILESC=COC(=O)c1ccc(OC)cc1.CC(C)=O
InChIInChI=1S/C10H10O3.C3H6O/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;1-3(2)4/h3-7H,1H2,2H3;1-2H3
InChIKeyFQJMVKHLWHGJEV-UHFFFAOYSA-N
XLogP2.59
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethenyl acetate;4-methoxybenzoic acid
CID 174932514
ethenyl benzoate;2-methylprop-1-ene
CID 174957134
[(Z)-3-methylbut-1-enyl] 4-methoxybenzoate
CID 135086590
formic acid;methyl 4-methoxybenzoate
CID 159779883
ethenyl 4-but-3-enoyloxybenzoate
CID 67807480
2-ethoxyethenyl 4-methoxybenzoate
CID 123217452
ethyl 4-methoxybenzoate;hydrochloride
CID 143432301
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
1-(4-methoxyphenyl)ethanone;hydrochloride
CID 23164565
methyl 4-[4-(4-methoxyphenoxy)phenoxy]benzoate
CID 10315855
methyl 4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzoate
CID 77432563

Frequently Asked Questions

What is the IUPAC name of ethenyl 4-methoxybenzoate;propan-2-one?
The IUPAC name of ethenyl 4-methoxybenzoate;propan-2-one (CID 70140612) is ethenyl 4-methoxybenzoate;propan-2-one.
What is the SMILES notation for ethenyl 4-methoxybenzoate;propan-2-one?
The canonical SMILES for ethenyl 4-methoxybenzoate;propan-2-one is C=COC(=O)c1ccc(OC)cc1.CC(C)=O.
What is the InChIKey of ethenyl 4-methoxybenzoate;propan-2-one?
The InChIKey is FQJMVKHLWHGJEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3.C3H6O/c1-3-13-10(11)8-4-6-9(12-2)7-5-8;1-3(2)4/h3-7H,1H2,2H3;1-2H3.
What are the key properties of ethenyl 4-methoxybenzoate;propan-2-one?
ethenyl 4-methoxybenzoate;propan-2-one has a molecular weight of 236.27 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 4-methoxybenzoate;propan-2-one is sourced from PubChem (CID 70140612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).