ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate

C14H16O5 — CID 155776978

IUPACethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate
SMILESCCOC(=O)C=COc1ccc(OC)cc1C(C)=O
InChIInChI=1S/C14H16O5/c1-4-18-14(16)7-8-19-13-6-5-11(17-3)9-12(13)10(2)15/h5-9H,4H2,1-3H3
InChIKeyFPUOBTJVYDURGZ-UHFFFAOYSA-N
MW264.28 g/mol
LogP2.35
Rot. Bonds6

About ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate

ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate (PubChem CID 155776978) has the molecular formula C14H16O5 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate.

Molecular Properties

Compound Nameethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate
PubChem CID155776978
Molecular FormulaC14H16O5
Molecular Weight264.28 g/mol
Exact Mass264.10
IUPAC Nameethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate
SMILESCCOC(=O)C=COc1ccc(OC)cc1C(C)=O
InChIInChI=1S/C14H16O5/c1-4-18-14(16)7-8-19-13-6-5-11(17-3)9-12(13)10(2)15/h5-9H,4H2,1-3H3
InChIKeyFPUOBTJVYDURGZ-UHFFFAOYSA-N
XLogP2.35
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 5373781
ethyl 3-[2-(hydrazinecarbonyl)-4-methoxyphenyl]prop-2-enoate
CID 169481027
ethyl 3-(2-ethoxy-4-methoxyphenyl)prop-2-enoate
CID 70021024
ethyl (E)-3-(2,4,5-trichlorophenoxy)prop-2-enoate
CID 5383982
ethyl 3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 85440976
ethyl (Z)-3-amino-3-[2-[2-[(Z)-1-amino-3-ethoxy-3-oxoprop-1-enyl]-4-methoxyphenyl]-5-methoxyphenyl]prop-2-enoate
CID 122400603
ethyl (E)-3-(2-hydroxy-5-methoxyphenyl)prop-2-enoate
CID 12536283
ethyl 3-(2-acetylnaphthalen-1-yl)oxyprop-2-enoate
CID 156786580
ethyl (E)-3-(2-bromo-5-methoxyphenyl)prop-2-enoate
CID 86584745
ethyl (E)-3-(4-methoxy-2-sulfanylphenyl)prop-2-enoate
CID 12955068
1-(2,5-diethoxyphenyl)ethanone
CID 4075332
ethyl (Z)-3-(4-methoxyphenoxy)but-2-enoate
CID 66894793

Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate?
The IUPAC name of ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate (CID 155776978) is ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate.
What is the SMILES notation for ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate?
The canonical SMILES for ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate is CCOC(=O)C=COc1ccc(OC)cc1C(C)=O.
What is the InChIKey of ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate?
The InChIKey is FPUOBTJVYDURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16O5/c1-4-18-14(16)7-8-19-13-6-5-11(17-3)9-12(13)10(2)15/h5-9H,4H2,1-3H3.
What are the key properties of ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate?
ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate has a molecular weight of 264.28 g/mol, XLogP of 2.35, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-acetyl-4-methoxyphenoxy)prop-2-enoate is sourced from PubChem (CID 155776978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).