prop-2-enyl 3-(prop-2-enoxymethyl)benzoate

C14H16O3 — CID 167216465

IUPACprop-2-enyl 3-(prop-2-enoxymethyl)benzoate
SMILESC=CCOCc1cccc(C(=O)OCC=C)c1
InChIInChI=1S/C14H16O3/c1-3-8-16-11-12-6-5-7-13(10-12)14(15)17-9-4-2/h3-7,10H,1-2,8-9,11H2
InChIKeyVVXSBLFUFAQGEM-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.73
Rot. Bonds7

About prop-2-enyl 3-(prop-2-enoxymethyl)benzoate

prop-2-enyl 3-(prop-2-enoxymethyl)benzoate (PubChem CID 167216465) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is prop-2-enyl 3-(prop-2-enoxymethyl)benzoate.

Molecular Properties

Compound Nameprop-2-enyl 3-(prop-2-enoxymethyl)benzoate
PubChem CID167216465
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Nameprop-2-enyl 3-(prop-2-enoxymethyl)benzoate
SMILESC=CCOCc1cccc(C(=O)OCC=C)c1
InChIInChI=1S/C14H16O3/c1-3-8-16-11-12-6-5-7-13(10-12)14(15)17-9-4-2/h3-7,10H,1-2,8-9,11H2
InChIKeyVVXSBLFUFAQGEM-UHFFFAOYSA-N
XLogP2.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

benzene;bis(prop-2-enyl) benzene-1,3-dicarboxylate
CID 175510564
prop-2-enyl 3-phenylbenzoate
CID 22594829
prop-2-enyl 3-aminobenzoate;hydrochloride
CID 18930598
formic acid;prop-2-enyl benzoate
CID 174813743
prop-2-enyl 4-[(3-bromophenyl)methoxy]-3-ethoxybenzoate
CID 91683346
1,3-bis(bromomethyl)benzene;1,3-bis(prop-2-enoxymethyl)benzene;prop-2-en-1-ol
CID 157371082
propyl 3-(methoxymethoxymethyl)benzoate
CID 174489069
ethyl 3-[(2-amino-2-methylpropoxy)methyl]benzoate
CID 82353225
3-[2-[3-[3-(3-prop-2-enoxypropoxy)propoxy]propoxy]ethoxycarbonyl]benzoic acid
CID 175525033
bis[(4-ethenylphenyl)methyl] benzene-1,3-dicarboxylate
CID 71422704
prop-2-enyl 4-(4-prop-2-enoxycarbonylbenzoyl)benzoate
CID 118619511
ethyl 3-[2-(ethylamino)ethoxymethyl]benzoate
CID 82353102

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 3-(prop-2-enoxymethyl)benzoate?
The IUPAC name of prop-2-enyl 3-(prop-2-enoxymethyl)benzoate (CID 167216465) is prop-2-enyl 3-(prop-2-enoxymethyl)benzoate.
What is the SMILES notation for prop-2-enyl 3-(prop-2-enoxymethyl)benzoate?
The canonical SMILES for prop-2-enyl 3-(prop-2-enoxymethyl)benzoate is C=CCOCc1cccc(C(=O)OCC=C)c1.
What is the InChIKey of prop-2-enyl 3-(prop-2-enoxymethyl)benzoate?
The InChIKey is VVXSBLFUFAQGEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-3-8-16-11-12-6-5-7-13(10-12)14(15)17-9-4-2/h3-7,10H,1-2,8-9,11H2.
What are the key properties of prop-2-enyl 3-(prop-2-enoxymethyl)benzoate?
prop-2-enyl 3-(prop-2-enoxymethyl)benzoate has a molecular weight of 232.28 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 3-(prop-2-enoxymethyl)benzoate is sourced from PubChem (CID 167216465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).