1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione

C14H15NO4 — CID 167490981

IUPAC1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCCOc1cc(CN2C(=O)C=CC2=O)ccc1OC
InChIInChI=1S/C14H15NO4/c1-3-19-12-8-10(4-5-11(12)18-2)9-15-13(16)6-7-14(15)17/h4-8H,3,9H2,1-2H3
InChIKeyWGYFZWVKGHWVRL-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.52
Rot. Bonds5

About 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione

1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 167490981) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID167490981
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCCOc1cc(CN2C(=O)C=CC2=O)ccc1OC
InChIInChI=1S/C14H15NO4/c1-3-19-12-8-10(4-5-11(12)18-2)9-15-13(16)6-7-14(15)17/h4-8H,3,9H2,1-2H3
InChIKeyWGYFZWVKGHWVRL-UHFFFAOYSA-N
XLogP1.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.52
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

(3aR,7aR)-2-[(3-ethoxy-4-methoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 96564616
2-(3-ethoxy-4-methoxyphenyl)acetic acid
CID 7144569
1-(3-ethoxy-4-methoxyphenyl)-N,N-dimethylmethanamine
CID 142063671
4-(2-chloroethyl)-2-ethoxy-1-methoxybenzene
CID 68520783
5-bromo-1-[(4-ethoxy-3-methoxyphenyl)methyl]-7-methylindole-2,3-dione
CID 7574114
1-[(3-ethoxy-4-methoxyphenyl)methyl]-4-[(3-methylphenyl)methyl]piperazine
CID 1148322
N-[(3-ethoxy-4-methoxyphenyl)methyl]ethanamine
CID 4717500
4-[(3,4-dimethoxyphenyl)methyl]-1,1-dioxo-1,4-thiazinane-3,5-dione
CID 5110518
2-[(3-ethoxy-4-methoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 765023
1-[(3,4-dimethoxyphenyl)methyl]-3-(2-ethoxyanilino)-4-phenylpyrrole-2,5-dione
CID 110594949
(3R)-1-[(3-ethoxy-4-methoxyphenyl)methyl]-3-methylpiperazine
CID 96937270
2-[(3-ethoxy-4-methoxyphenyl)methylsulfonyl]isoindole-1,3-dione
CID 68612974

Frequently Asked Questions

What is the IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 167490981) is 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione is CCOc1cc(CN2C(=O)C=CC2=O)ccc1OC.
What is the InChIKey of 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is WGYFZWVKGHWVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-3-19-12-8-10(4-5-11(12)18-2)9-15-13(16)6-7-14(15)17/h4-8H,3,9H2,1-2H3.
What are the key properties of 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione?
1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 261.28 g/mol, XLogP of 1.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-ethoxy-4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 167490981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).