[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

Related Compounds

[1-(4-benzylphenoxy)-3-methoxypropan-2-yl] prop-2-enoate
CID 142355257
1,3-bis(4-hydroxyphenoxy)propan-2-yl prop-2-enoate
CID 58280736
methane;tetrakis([1-methoxy-3-(4-phenylphenoxy)propan-2-yl] prop-2-enoate);1,2,2-triphenylethylbenzene
CID 157429034
4-[3-(4-methoxyphenoxy)-2-prop-2-enoyloxypropoxy]butyl prop-2-enoate
CID 145123352
[1-phenoxy-3-[4-[2-[2-[4-(3-phenoxy-2-prop-2-enoyloxypropoxy)phenyl]phenyl]phenyl]phenoxy]propan-2-yl] prop-2-enoate
CID 118671524
[3-[4-[4-[4-[2,3-di(prop-2-enoyloxy)propoxy]phenyl]sulfanylphenyl]sulfanylphenoxy]-2-prop-2-enoyloxypropyl] prop-2-enoate
CID 59739137
[1-[4-(benzotriazol-2-yl)-3-hydroxyphenoxy]-3-methoxypropan-2-yl] prop-2-enoate
CID 142563864
4-[2,3-di(prop-2-enoyloxy)propoxy]benzoic acid
CID 122419882
6-(4-formylphenoxy)hexyl prop-2-enoate;methanol
CID 145059918
12-(4-formylphenoxy)dodecyl prop-2-enoate
CID 174341299
4-O-(4-formylphenyl) 1-O-(2-prop-2-enoyloxypropyl) butanedioate
CID 134236400
[2-hydroxy-3-[4-[[4-(2-hydroxy-3-methoxypropoxy)phenyl]methyl]phenoxy]propyl] prop-2-enoate
CID 118443194

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).