3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione

C25H21NO5 — CID 141397576

IUPAC3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N(OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO5/c1-29-20-12-8-18(9-13-20)22-23(19-10-14-21(30-2)15-11-19)25(28)26(24(22)27)31-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeyMKCYBZCDIQQSPG-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.12
Rot. Bonds7

About 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione

3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione (PubChem CID 141397576) has the molecular formula C25H21NO5 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
PubChem CID141397576
Molecular FormulaC25H21NO5
Molecular Weight415.45 g/mol
Exact Mass415.14
IUPAC Name3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N(OCc3ccccc3)C2=O)cc1
InChIInChI=1S/C25H21NO5/c1-29-20-12-8-18(9-13-20)22-23(19-10-14-21(30-2)15-11-19)25(28)26(24(22)27)31-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKeyMKCYBZCDIQQSPG-UHFFFAOYSA-N
XLogP4.12
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4-diphenyl-1-[(3,4,5-trimethoxyphenyl)methoxy]pyrrole-2,5-dione
CID 141397575
1-[(4-fluorophenyl)methoxy]-3,4-dinaphthalen-2-ylpyrrole-2,5-dione
CID 141397588
3-[4-[2,4-bis(4-methoxyphenyl)-3-oxo-5-phenylcyclopenta-1,4-dien-1-yl]phenyl]-2,5-bis(4-methoxyphenyl)-4-phenylcyclopenta-2,4-dien-1-one
CID 70843008
2-[[4-[(4-methylphenyl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 21138805
1-methoxy-4-[(4-phenylmethoxyphenoxy)methyl]benzene
CID 12029541
methyl 7-methoxy-1,3-dioxo-2-phenylmethoxy-4H-isoquinoline-4-carboxylate
CID 67984682
4-(4-methoxyphenyl)-2,2-dimethyl-5-(4-phenylmethoxyphenyl)furan-3-one
CID 59354781
1-benzyl-5-(4-methoxyphenyl)-6-methyl-2,3-dihydropyridin-4-one
CID 71514150
2-[[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]methoxy]isoindole-1,3-dione
CID 22344648
2-[(4-octoxyphenyl)methoxy]isoindole-1,3-dione
CID 19969096
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(4-methoxyphenyl)methyl (2S)-2-(1,3-dioxoisoindol-2-yl)-3-phenylpropanoate
CID 8926973

Frequently Asked Questions

What is the IUPAC name of 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione?
The IUPAC name of 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione (CID 141397576) is 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione is COc1ccc(C2=C(c3ccc(OC)cc3)C(=O)N(OCc3ccccc3)C2=O)cc1.
What is the InChIKey of 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione?
The InChIKey is MKCYBZCDIQQSPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO5/c1-29-20-12-8-18(9-13-20)22-23(19-10-14-21(30-2)15-11-19)25(28)26(24(22)27)31-16-17-6-4-3-5-7-17/h3-15H,16H2,1-2H3.
What are the key properties of 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione?
3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione has a molecular weight of 415.45 g/mol, XLogP of 4.12, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(4-methoxyphenyl)-1-phenylmethoxypyrrole-2,5-dione is sourced from PubChem (CID 141397576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).