5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione

C14H13NO5 — CID 57083165

IUPAC5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione
SMILESCCOc1cc(C=CC=C2OC(=O)NC2=O)ccc1O
InChIInChI=1S/C14H13NO5/c1-2-19-12-8-9(6-7-10(12)16)4-3-5-11-13(17)15-14(18)20-11/h3-8,16H,2H2,1H3,(H,15,17,18)
InChIKeyHRDBATRKKXPXDG-UHFFFAOYSA-N
MW275.26 g/mol
LogP1.95
Rot. Bonds4

About 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione

5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione (PubChem CID 57083165) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione.

Molecular Properties

Compound Name5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione
PubChem CID57083165
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione
SMILESCCOc1cc(C=CC=C2OC(=O)NC2=O)ccc1O
InChIInChI=1S/C14H13NO5/c1-2-19-12-8-9(6-7-10(12)16)4-3-5-11-13(17)15-14(18)20-11/h3-8,16H,2H2,1H3,(H,15,17,18)
InChIKeyHRDBATRKKXPXDG-UHFFFAOYSA-N
XLogP1.95
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enal
CID 82362855
3-[(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135789465
4-[(E)-3-aminobut-1-enyl]-2-ethoxyphenol
CID 103091555
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
1-(3-ethoxy-4-hydroxyphenyl)-7-(4-hydroxy-3-methoxyphenyl)hepta-1,6-diene-3,5-dione
CID 67010274
(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 700782
4-(2,2-dichloroethenyl)-2-ethoxyphenol
CID 87569986
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
(5E)-1-tert-butyl-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
CID 5338147
4-deca-1,7-dienyl-2-ethoxyphenol
CID 172611463
ethyl (E)-3-(3-ethoxy-4-hydroxyphenyl)-2-methylprop-2-enoate
CID 86626101
3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 50887631

Frequently Asked Questions

What is the IUPAC name of 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The IUPAC name of 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione (CID 57083165) is 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione.
What is the SMILES notation for 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The canonical SMILES for 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione is CCOc1cc(C=CC=C2OC(=O)NC2=O)ccc1O.
What is the InChIKey of 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
The InChIKey is HRDBATRKKXPXDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c1-2-19-12-8-9(6-7-10(12)16)4-3-5-11-13(17)15-14(18)20-11/h3-8,16H,2H2,1H3,(H,15,17,18).
What are the key properties of 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione?
5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione has a molecular weight of 275.26 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 57083165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).