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

C13H13NO4 — CID 11687421

IUPAC3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOC1=CC(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C13H13NO4/c1-17-10-5-3-9(4-6-10)8-14-12(15)7-11(18-2)13(14)16/h3-7H,8H2,1-2H3
InChIKeyBHGGIDRLQUNPEF-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.09
Rot. Bonds4

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

3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (PubChem CID 11687421) has the molecular formula C13H13NO4 and a molecular weight of 247.25 g/mol. Its IUPAC name is 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
PubChem CID11687421
Molecular FormulaC13H13NO4
Molecular Weight247.25 g/mol
Exact Mass247.08
IUPAC Name3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
SMILESCOC1=CC(=O)N(Cc2ccc(OC)cc2)C1=O
InChIInChI=1S/C13H13NO4/c1-17-10-5-3-9(4-6-10)8-14-12(15)7-11(18-2)13(14)16/h3-7H,8H2,1-2H3
InChIKeyBHGGIDRLQUNPEF-UHFFFAOYSA-N
XLogP1.09
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.09
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

3,4-dibromo-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 10761993
ethane;1-methoxy-4-methylbenzene;1-[(4-methylphenyl)methyl]pyrrole-2,5-dione
CID 144616946
3-methoxy-1-propylpyrrole-2,5-dione
CID 174719106
2-[(4-methoxyphenyl)methyl]-5-[2-[(4-methoxyphenyl)methyl]-1,3-dioxoisoindol-5-yl]oxyisoindole-1,3-dione
CID 23939601
7,18-bis[(4-methoxyphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone;methane
CID 159967461
1,4-bis[(4-methoxyphenyl)methyl]-3-methylidenepiperazine-2,5-dione
CID 91314471
3-hydroxy-1-[(4-methoxyphenyl)methyl]benzo[cd]indol-2-one
CID 155195092
(6S)-1,4-bis[(4-methoxyphenyl)methyl]-6-propan-2-ylpiperazine-2,3,5-trione
CID 11825743
7-[(4-methoxyphenyl)methyl]-18-[(4-methylphenyl)methyl]-7,18-diazaheptacyclo[14.6.2.22,5.03,12.04,9.013,23.020,24]hexacosa-1(23),2,4,9,11,13,15,20(24),21,25-decaene-6,8,17,19-tetrone
CID 164766706
3-(4-methoxyanilino)-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110592605
3-ethylsulfanyl-4-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110555883
(3S)-3-hydroxy-1-[(4-methoxyphenyl)methyl]pyrrolidine-2,5-dione
CID 15896261

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The IUPAC name of 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione (CID 11687421) is 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione.
What is the SMILES notation for 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The canonical SMILES for 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is COC1=CC(=O)N(Cc2ccc(OC)cc2)C1=O.
What is the InChIKey of 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
The InChIKey is BHGGIDRLQUNPEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO4/c1-17-10-5-3-9(4-6-10)8-14-12(15)7-11(18-2)13(14)16/h3-7H,8H2,1-2H3.
What are the key properties of 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione?
3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione has a molecular weight of 247.25 g/mol, XLogP of 1.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione is sourced from PubChem (CID 11687421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).