3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

C15H17NO4 — CID 110581599

IUPAC3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C15H17NO4/c1-9(2)8-16-14(18)12(13(17)15(16)19)10-6-4-5-7-11(10)20-3/h4-7,9,17H,8H2,1-3H3
InChIKeySEFWMWJKVDPLST-UHFFFAOYSA-N
MW275.30 g/mol
LogP1.99
Rot. Bonds4

About 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione

3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (PubChem CID 110581599) has the molecular formula C15H17NO4 and a molecular weight of 275.30 g/mol. Its IUPAC name is 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
PubChem CID110581599
Molecular FormulaC15H17NO4
Molecular Weight275.30 g/mol
Exact Mass275.12
IUPAC Name3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
SMILESCOc1ccccc1C1=C(O)C(=O)N(CC(C)C)C1=O
InChIInChI=1S/C15H17NO4/c1-9(2)8-16-14(18)12(13(17)15(16)19)10-6-4-5-7-11(10)20-3/h4-7,9,17H,8H2,1-3H3
InChIKeySEFWMWJKVDPLST-UHFFFAOYSA-N
XLogP1.99
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-anilino-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597852
3-hydroxy-4-(2-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrole-2,5-dione
CID 110581570
3-benzylsulfanyl-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110566312
3-(3,5-dimethoxyanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597827
3-(4-fluoroanilino)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110597837
3-(3,4-dihydro-2H-quinolin-1-yl)-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110566300
1-[2-(3,4-diethoxyphenyl)ethyl]-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581569
methane;methyl acetate;2-(2-methylpropyl)isoindole-1,3-dione
CID 159386975
1-(3,5-dimethylphenyl)-3-hydroxy-4-(2-methoxyphenyl)pyrrole-2,5-dione
CID 110581616
3-(4-chlorophenyl)-4-hydroxy-1-(2-methylpropyl)pyrrole-2,5-dione
CID 110581863
1-[[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2-methylpropyl)imidazolidine-2,4,5-trione
CID 17446085
4-[3-hydroxy-4-(2-methoxyphenyl)-2,5-dioxopyrrol-1-yl]benzenesulfonamide
CID 110581640

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The IUPAC name of 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione (CID 110581599) is 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The canonical SMILES for 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is COc1ccccc1C1=C(O)C(=O)N(CC(C)C)C1=O.
What is the InChIKey of 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
The InChIKey is SEFWMWJKVDPLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4/c1-9(2)8-16-14(18)12(13(17)15(16)19)10-6-4-5-7-11(10)20-3/h4-7,9,17H,8H2,1-3H3.
What are the key properties of 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione?
3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione has a molecular weight of 275.30 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-4-(2-methoxyphenyl)-1-(2-methylpropyl)pyrrole-2,5-dione is sourced from PubChem (CID 110581599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).