prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate

C14H14O4 — CID 174585078

IUPACprop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate
SMILESC=CCOC(=O)c1ccc(C)cc1OC(=O)C=C
InChIInChI=1S/C14H14O4/c1-4-8-17-14(16)11-7-6-10(3)9-12(11)18-13(15)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyULUOJELOQYLGSC-UHFFFAOYSA-N
MW246.26 g/mol
LogP2.43
Rot. Bonds5

About prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate

prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate (PubChem CID 174585078) has the molecular formula C14H14O4 and a molecular weight of 246.26 g/mol. Its IUPAC name is prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate.

Molecular Properties

Compound Nameprop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate
PubChem CID174585078
Molecular FormulaC14H14O4
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Nameprop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate
SMILESC=CCOC(=O)c1ccc(C)cc1OC(=O)C=C
InChIInChI=1S/C14H14O4/c1-4-8-17-14(16)11-7-6-10(3)9-12(11)18-13(15)5-2/h4-7,9H,1-2,8H2,3H3
InChIKeyULUOJELOQYLGSC-UHFFFAOYSA-N
XLogP2.43
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate?
The IUPAC name of prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate (CID 174585078) is prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate.
What is the SMILES notation for prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate?
The canonical SMILES for prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate is C=CCOC(=O)c1ccc(C)cc1OC(=O)C=C.
What is the InChIKey of prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate?
The InChIKey is ULUOJELOQYLGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O4/c1-4-8-17-14(16)11-7-6-10(3)9-12(11)18-13(15)5-2/h4-7,9H,1-2,8H2,3H3.
What are the key properties of prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate?
prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate has a molecular weight of 246.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 4-methyl-2-prop-2-enoyloxybenzoate is sourced from PubChem (CID 174585078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).