methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate

C14H16O3 — CID 11241748

IUPACmethyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
SMILESC=CCOc1ccc(C(=O)OC)cc1CC=C
InChIInChI=1S/C14H16O3/c1-4-6-11-10-12(14(15)16-3)7-8-13(11)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyOWUUETLIJGEIAQ-UHFFFAOYSA-N
MW232.28 g/mol
LogP2.77
Rot. Bonds6

About methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate

methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate (PubChem CID 11241748) has the molecular formula C14H16O3 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate.

Molecular Properties

Compound Namemethyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
PubChem CID11241748
Molecular FormulaC14H16O3
Molecular Weight232.28 g/mol
Exact Mass232.11
IUPAC Namemethyl 4-prop-2-enoxy-3-prop-2-enylbenzoate
SMILESC=CCOc1ccc(C(=O)OC)cc1CC=C
InChIInChI=1S/C14H16O3/c1-4-6-11-10-12(14(15)16-3)7-8-13(11)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3
InChIKeyOWUUETLIJGEIAQ-UHFFFAOYSA-N
XLogP2.77
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl 4-prop-2-enoxybenzene-1,3-dicarboxylate
CID 71377210
dimethyl 2-prop-2-enylbenzene-1,4-dicarboxylate
CID 69498323
methyl 3-acetyl-4-prop-2-enoxybenzoate
CID 97033850
methyl 4-fluoro-3-prop-2-enoxybenzoate
CID 67441936
methyl 3-prop-2-enyl-4-(trifluoromethylsulfonyloxy)benzoate
CID 22574964
3-methoxycarbonyl-4-prop-2-enoxybenzoic acid
CID 71429807
methyl 6-prop-2-enylnaphthalene-2-carboxylate
CID 163936800
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
methyl 3-hydroxy-4-methyl-5-prop-2-enoxybenzoate
CID 156828758
1-(4-pentoxy-3-prop-2-enylphenyl)ethanone
CID 54849741
3-O-benzyl 1-O-methyl 4-prop-2-enoxy-5-prop-2-enylbenzene-1,3-dicarboxylate
CID 123966288
methyl 4-(4-cyanobenzoyl)oxy-3-methoxy-5-prop-2-enylbenzoate
CID 9208305

Frequently Asked Questions

What is the IUPAC name of methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate?
The IUPAC name of methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate (CID 11241748) is methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate.
What is the SMILES notation for methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate?
The canonical SMILES for methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate is C=CCOc1ccc(C(=O)OC)cc1CC=C.
What is the InChIKey of methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate?
The InChIKey is OWUUETLIJGEIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O3/c1-4-6-11-10-12(14(15)16-3)7-8-13(11)17-9-5-2/h4-5,7-8,10H,1-2,6,9H2,3H3.
What are the key properties of methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate?
methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate has a molecular weight of 232.28 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-prop-2-enoxy-3-prop-2-enylbenzoate is sourced from PubChem (CID 11241748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).