(4-prop-2-enoxyphenyl) 2-methoxyacetate

C12H14O4 — CID 174369154

IUPAC(4-prop-2-enoxyphenyl) 2-methoxyacetate
SMILESC=CCOc1ccc(OC(=O)COC)cc1
InChIInChI=1S/C12H14O4/c1-3-8-15-10-4-6-11(7-5-10)16-12(13)9-14-2/h3-7H,1,8-9H2,2H3
InChIKeyDPMSXTOGVNZQDA-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.80
Rot. Bonds6

About (4-prop-2-enoxyphenyl) 2-methoxyacetate

(4-prop-2-enoxyphenyl) 2-methoxyacetate (PubChem CID 174369154) has the molecular formula C12H14O4 and a molecular weight of 222.24 g/mol. Its IUPAC name is (4-prop-2-enoxyphenyl) 2-methoxyacetate.

Molecular Properties

Compound Name(4-prop-2-enoxyphenyl) 2-methoxyacetate
PubChem CID174369154
Molecular FormulaC12H14O4
Molecular Weight222.24 g/mol
Exact Mass222.09
IUPAC Name(4-prop-2-enoxyphenyl) 2-methoxyacetate
SMILESC=CCOc1ccc(OC(=O)COC)cc1
InChIInChI=1S/C12H14O4/c1-3-8-15-10-4-6-11(7-5-10)16-12(13)9-14-2/h3-7H,1,8-9H2,2H3
InChIKeyDPMSXTOGVNZQDA-UHFFFAOYSA-N
XLogP1.80
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(4-methylphenyl) 2-methoxyacetate
CID 142940402
(4-chlorophenyl) 2-methoxyacetate
CID 849221
[4-(4-methoxyphenoxy)carbonylphenyl] 4-prop-2-enoxybenzoate
CID 18368747
(4-prop-2-enoxyphenyl) 4-methoxybenzoate
CID 71332396
(4-prop-2-enoxyphenyl) 4-prop-2-enoxybenzoate
CID 70257888
[4-(4-methoxyphenyl)phenyl] 4-(4-prop-2-enoxyphenyl)benzoate
CID 19853406
2-(4-prop-2-enoxyphenoxy)acetamide
CID 3608594
[4-(pentafluoro-λ6-sulfanyl)phenyl] 2-methoxyacetate
CID 177288047
methyl 4-(4-prop-2-enoxyphenyl)benzoate
CID 22625454
4-oxo-4-[4-(4-prop-2-enoxybenzoyl)oxyphenoxy]butanoic acid
CID 19348973
1-(4-ethoxyphenyl)-2-(4-prop-2-enoxyphenyl)ethane-1,2-dione
CID 129074944
benzene;4-prop-2-enoxybenzoic acid
CID 174857047

Frequently Asked Questions

What is the IUPAC name of (4-prop-2-enoxyphenyl) 2-methoxyacetate?
The IUPAC name of (4-prop-2-enoxyphenyl) 2-methoxyacetate (CID 174369154) is (4-prop-2-enoxyphenyl) 2-methoxyacetate.
What is the SMILES notation for (4-prop-2-enoxyphenyl) 2-methoxyacetate?
The canonical SMILES for (4-prop-2-enoxyphenyl) 2-methoxyacetate is C=CCOc1ccc(OC(=O)COC)cc1.
What is the InChIKey of (4-prop-2-enoxyphenyl) 2-methoxyacetate?
The InChIKey is DPMSXTOGVNZQDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4/c1-3-8-15-10-4-6-11(7-5-10)16-12(13)9-14-2/h3-7H,1,8-9H2,2H3.
What are the key properties of (4-prop-2-enoxyphenyl) 2-methoxyacetate?
(4-prop-2-enoxyphenyl) 2-methoxyacetate has a molecular weight of 222.24 g/mol, XLogP of 1.80, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-prop-2-enoxyphenyl) 2-methoxyacetate is sourced from PubChem (CID 174369154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).