3-(2-acetylphenoxy)propyl prop-2-enoate

C14H16O4 — CID 142301416

IUPAC3-(2-acetylphenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccccc1C(C)=O
InChIInChI=1S/C14H16O4/c1-3-14(16)18-10-6-9-17-13-8-5-4-7-12(13)11(2)15/h3-5,7-8H,1,6,9-10H2,2H3
InChIKeyWWGLOKTXLYOQOJ-UHFFFAOYSA-N
MW248.28 g/mol
LogP2.39
Rot. Bonds7

About 3-(2-acetylphenoxy)propyl prop-2-enoate

3-(2-acetylphenoxy)propyl prop-2-enoate (PubChem CID 142301416) has the molecular formula C14H16O4 and a molecular weight of 248.28 g/mol. Its IUPAC name is 3-(2-acetylphenoxy)propyl prop-2-enoate.

Molecular Properties

Compound Name3-(2-acetylphenoxy)propyl prop-2-enoate
PubChem CID142301416
Molecular FormulaC14H16O4
Molecular Weight248.28 g/mol
Exact Mass248.10
IUPAC Name3-(2-acetylphenoxy)propyl prop-2-enoate
SMILESC=CC(=O)OCCCOc1ccccc1C(C)=O
InChIInChI=1S/C14H16O4/c1-3-14(16)18-10-6-9-17-13-8-5-4-7-12(13)11(2)15/h3-5,7-8H,1,6,9-10H2,2H3
InChIKeyWWGLOKTXLYOQOJ-UHFFFAOYSA-N
XLogP2.39
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,3-dimethylphenoxy)propyl prop-2-enoate
CID 151952529
6-(2-benzoylphenoxy)hexyl prop-2-enoate
CID 172762769
2-(2-prop-2-enoyloxyethoxy)benzoic acid
CID 18974630
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
2-[2-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl prop-2-enoate
CID 54505506
bis(25-prop-2-enoyloxypentacosyl) benzene-1,2-dicarboxylate
CID 101299992
bis(37-prop-2-enoyloxyheptatriacontyl) benzene-1,2-dicarboxylate
CID 101300004
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-[3-(4-ethoxyphenoxy)propoxy]phenyl]ethanone
CID 2284019
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[2-(2-hydroxyethoxy)phenoxy]ethyl prop-2-enoate
CID 147852586

Frequently Asked Questions

What is the IUPAC name of 3-(2-acetylphenoxy)propyl prop-2-enoate?
The IUPAC name of 3-(2-acetylphenoxy)propyl prop-2-enoate (CID 142301416) is 3-(2-acetylphenoxy)propyl prop-2-enoate.
What is the SMILES notation for 3-(2-acetylphenoxy)propyl prop-2-enoate?
The canonical SMILES for 3-(2-acetylphenoxy)propyl prop-2-enoate is C=CC(=O)OCCCOc1ccccc1C(C)=O.
What is the InChIKey of 3-(2-acetylphenoxy)propyl prop-2-enoate?
The InChIKey is WWGLOKTXLYOQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O4/c1-3-14(16)18-10-6-9-17-13-8-5-4-7-12(13)11(2)15/h3-5,7-8H,1,6,9-10H2,2H3.
What are the key properties of 3-(2-acetylphenoxy)propyl prop-2-enoate?
3-(2-acetylphenoxy)propyl prop-2-enoate has a molecular weight of 248.28 g/mol, XLogP of 2.39, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-acetylphenoxy)propyl prop-2-enoate is sourced from PubChem (CID 142301416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).