[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate

C14H16O5 — CID 145121720

IUPAC[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(C=O)cc1
InChIInChI=1S/C14H16O5/c1-3-14(16)19-13(9-17-2)10-18-12-6-4-11(8-15)5-7-12/h3-8,13H,1,9-10H2,2H3
InChIKeyNQMYZURUNSHXIQ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.62
Rot. Bonds8

About [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate

[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate (PubChem CID 145121720) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate.

Molecular Properties

Compound Name[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
PubChem CID145121720
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Name[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
SMILESC=CC(=O)OC(COC)COc1ccc(C=O)cc1
InChIInChI=1S/C14H16O5/c1-3-14(16)19-13(9-17-2)10-18-12-6-4-11(8-15)5-7-12/h3-8,13H,1,9-10H2,2H3
InChIKeyNQMYZURUNSHXIQ-UHFFFAOYSA-N
XLogP1.62
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The IUPAC name of [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate (CID 145121720) is [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate.
What is the SMILES notation for [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The canonical SMILES for [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate is C=CC(=O)OC(COC)COc1ccc(C=O)cc1.
What is the InChIKey of [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
The InChIKey is NQMYZURUNSHXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-3-14(16)19-13(9-17-2)10-18-12-6-4-11(8-15)5-7-12/h3-8,13H,1,9-10H2,2H3.
What are the key properties of [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate?
[1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-formylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate is sourced from PubChem (CID 145121720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).