methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate

C13H14O5 — CID 141015073

IUPACmethyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(OC)cc1)OCC=O
InChIInChI=1S/C13H14O5/c1-16-11-5-3-10(4-6-11)9-12(13(15)17-2)18-8-7-14/h3-7,9H,8H2,1-2H3
InChIKeyOMZOBYPEFJNMLH-UHFFFAOYSA-N
MW250.25 g/mol
LogP1.42
Rot. Bonds6

About methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate

methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate (PubChem CID 141015073) has the molecular formula C13H14O5 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate.

Molecular Properties

Compound Namemethyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
PubChem CID141015073
Molecular FormulaC13H14O5
Molecular Weight250.25 g/mol
Exact Mass250.08
IUPAC Namemethyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate
SMILESCOC(=O)C(=Cc1ccc(OC)cc1)OCC=O
InChIInChI=1S/C13H14O5/c1-16-11-5-3-10(4-6-11)9-12(13(15)17-2)18-8-7-14/h3-7,9H,8H2,1-2H3
InChIKeyOMZOBYPEFJNMLH-UHFFFAOYSA-N
XLogP1.42
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

methyl (Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enoate
CID 70545359
2-methoxy-3-(4-methoxyphenyl)prop-2-enamide
CID 165349278
methyl (E,4E)-2-methoxy-4-[(4-methoxyphenyl)methylidene]hex-2-enoate
CID 139785089
methyl (2E)-2-[(4-methoxyphenyl)methylidene]-4-oxopentanoate
CID 16664758
2-[[1,4-bis(4-methoxyphenyl)-3-(2-oxoethylamino)buta-1,3-dien-2-yl]amino]acetaldehyde
CID 162820863
2-methoxycarbonyl-3-(4-methoxyphenyl)prop-2-enoic acid
CID 3653010
methyl (E)-3-(4-methoxyphenyl)-2-(pentafluoro-λ6-sulfanyl)prop-2-enoate
CID 132510965
trimethylsilyl (E)-3-(4-methoxyphenyl)-2-trimethylsilyloxyprop-2-enoate
CID 5372917
methyl (Z)-3-(4-methoxyphenyl)-2-(trifluoromethylsulfanylmethyl)prop-2-enoate
CID 138974440
methyl (E)-2-[(methoxycarbonylamino)methyl]-3-(4-methoxyphenyl)prop-2-enoate
CID 102356904
anisole;2-oxoethyl carbamate
CID 174834133
(Z)-2-ethoxy-3-(4-methoxyphenyl)prop-2-enal
CID 46183091

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate?
The IUPAC name of methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate (CID 141015073) is methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate.
What is the SMILES notation for methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate?
The canonical SMILES for methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate is COC(=O)C(=Cc1ccc(OC)cc1)OCC=O.
What is the InChIKey of methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate?
The InChIKey is OMZOBYPEFJNMLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14O5/c1-16-11-5-3-10(4-6-11)9-12(13(15)17-2)18-8-7-14/h3-7,9H,8H2,1-2H3.
What are the key properties of methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate?
methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate has a molecular weight of 250.25 g/mol, XLogP of 1.42, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-methoxyphenyl)-2-(2-oxoethoxy)prop-2-enoate is sourced from PubChem (CID 141015073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).