1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione

C16H17NO4 — CID 71423852

IUPAC1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
SMILESCCC1(COc2ccc(N3C(=O)C=CC3=O)cc2)COC1
InChIInChI=1S/C16H17NO4/c1-2-16(9-20-10-16)11-21-13-5-3-12(4-6-13)17-14(18)7-8-15(17)19/h3-8H,2,9-11H2,1H3
InChIKeyZEXOPTMWIKEENW-UHFFFAOYSA-N
MW287.31 g/mol
LogP1.92
Rot. Bonds5

About 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione

1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione (PubChem CID 71423852) has the molecular formula C16H17NO4 and a molecular weight of 287.31 g/mol. Its IUPAC name is 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
PubChem CID71423852
Molecular FormulaC16H17NO4
Molecular Weight287.31 g/mol
Exact Mass287.12
IUPAC Name1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione
SMILESCCC1(COc2ccc(N3C(=O)C=CC3=O)cc2)COC1
InChIInChI=1S/C16H17NO4/c1-2-16(9-20-10-16)11-21-13-5-3-12(4-6-13)17-14(18)7-8-15(17)19/h3-8H,2,9-11H2,1H3
InChIKeyZEXOPTMWIKEENW-UHFFFAOYSA-N
XLogP1.92
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.31
LogP ≤ 51.92
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

Phenacetin
CID 4754
N-(4-Ethoxyphenyl)-N-hydroxyacetamide
CID 29539
Acetamide, N-(4-butoxyphenyl)-
CID 90165
4'-Allyloxyacetanilide
CID 23103
N-(4-Ethoxyphenyl)maleimide
CID 29407
3,3-Diethyl-1-(4-methoxyphenyl)azetidine-2,4-dione
CID 24823446
1-[4-(Difluoromethoxy)phenyl]pyrrole-2,5-dione
CID 886511
1-(4-Methoxyphenyl)-1H-pyrrole-2,5-dione
CID 236788
1-(4-Phenoxyphenyl)-1H-pyrrole-2,5-dione
CID 555841
N-(4-Propoxyphenyl)acetamide
CID 88510
p-ACETOPHENETIDIDE, N-ETHYL-
CID 48371
N-Methylphenacetin
CID 23724

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione (CID 71423852) is 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione is CCC1(COc2ccc(N3C(=O)C=CC3=O)cc2)COC1.
What is the InChIKey of 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione?
The InChIKey is ZEXOPTMWIKEENW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c1-2-16(9-20-10-16)11-21-13-5-3-12(4-6-13)17-14(18)7-8-15(17)19/h3-8H,2,9-11H2,1H3.
What are the key properties of 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione?
1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione has a molecular weight of 287.31 g/mol, XLogP of 1.92, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(3-ethyloxetan-3-yl)methoxy]phenyl]pyrrole-2,5-dione is sourced from PubChem (CID 71423852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).