1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione

C14H13NO4 — CID 139985290

IUPAC1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
SMILESCC(=O)c1ccc(OCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H13NO4/c1-10(16)11-2-4-12(5-3-11)19-9-8-15-13(17)6-7-14(15)18/h2-7H,8-9H2,1H3
InChIKeySKFANEZEQDBUSD-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.19
Rot. Bonds5

About 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione

1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione (PubChem CID 139985290) has the molecular formula C14H13NO4 and a molecular weight of 259.26 g/mol. Its IUPAC name is 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
PubChem CID139985290
Molecular FormulaC14H13NO4
Molecular Weight259.26 g/mol
Exact Mass259.08
IUPAC Name1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
SMILESCC(=O)c1ccc(OCCN2C(=O)C=CC2=O)cc1
InChIInChI=1S/C14H13NO4/c1-10(16)11-2-4-12(5-3-11)19-9-8-15-13(17)6-7-14(15)18/h2-7H,8-9H2,1H3
InChIKeySKFANEZEQDBUSD-UHFFFAOYSA-N
XLogP1.19
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-fluorophenoxy)ethyl]pyrrole-2,5-dione
CID 82116529
1-[2-(4-acetylphenoxy)ethyl]pyridin-2-one
CID 78986348
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
4-[4-[2-(2,5-dioxopyrrol-1-yl)ethoxy]phenyl]benzonitrile
CID 100919085
1-[4-[2-[(3S,5S)-3,5-dimethylpiperidin-1-yl]ethoxy]phenyl]ethanone
CID 7380342
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
N-[(3R)-1-[2-(4-acetylphenoxy)ethyl]-4,7-dimethyl-2-oxo-3H-indol-3-yl]acetamide
CID 9178648
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 145121812
1-[4-(iodomethoxy)phenyl]ethanone
CID 118233287

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione (CID 139985290) is 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione is CC(=O)c1ccc(OCCN2C(=O)C=CC2=O)cc1.
What is the InChIKey of 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is SKFANEZEQDBUSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO4/c1-10(16)11-2-4-12(5-3-11)19-9-8-15-13(17)6-7-14(15)18/h2-7H,8-9H2,1H3.
What are the key properties of 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione?
1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 259.26 g/mol, XLogP of 1.19, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 139985290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).