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

C14H15NO3 — CID 94266003

IUPAC1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H15NO3/c1-2-11-5-3-4-6-12(11)18-10-9-15-13(16)7-8-14(15)17/h3-8H,2,9-10H2,1H3
InChIKeyJDIMPTFGNZSAPX-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.55
Rot. Bonds5

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

1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione (PubChem CID 94266003) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione
PubChem CID94266003
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione
SMILESCCc1ccccc1OCCN1C(=O)C=CC1=O
InChIInChI=1S/C14H15NO3/c1-2-11-5-3-4-6-12(11)18-10-9-15-13(16)7-8-14(15)17/h3-8H,2,9-10H2,1H3
InChIKeyJDIMPTFGNZSAPX-UHFFFAOYSA-N
XLogP1.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-methylphenoxy)propyl]pyrrole-2,5-dione
CID 94688559
1-(2-chloroethoxy)-2-ethylbenzene
CID 43173826
1-[3-(2-bromophenoxy)propyl]pyrrole-2,5-dione
CID 94719132
1-(3-bromopropoxy)-2-ethylbenzene
CID 43364278
ethane;1-ethyl-2-(2-fluoroethoxy)benzene
CID 170716854
1-ethyl-2-heptoxybenzene
CID 22723794
1-[3-(2-ethylphenoxy)propyl]pyrrolidine
CID 2262767
1-[2-(2-ethylphenoxy)ethyl]pyrazol-3-amine
CID 63315859
5-(2-ethylphenoxy)pentan-1-ol
CID 62228052
2-(2-ethylphenoxy)-N-methylethanamine;hydrochloride
CID 44665206
4-(2-ethylphenoxy)butanamide
CID 82040636
(3aR,6aS)-2-[2-(2-ethylphenoxy)ethyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol
CID 138809274

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione?
The IUPAC name of 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione (CID 94266003) is 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione is CCc1ccccc1OCCN1C(=O)C=CC1=O.
What is the InChIKey of 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione?
The InChIKey is JDIMPTFGNZSAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-2-11-5-3-4-6-12(11)18-10-9-15-13(16)7-8-14(15)17/h3-8H,2,9-10H2,1H3.
What are the key properties of 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione?
1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylphenoxy)ethyl]pyrrole-2,5-dione is sourced from PubChem (CID 94266003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).