1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione

C14H15NO3 — CID 63266809

IUPAC1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15NO3/c1-9-10(2)14(18)15(13(9)17)8-7-11-3-5-12(16)6-4-11/h3-6,16H,7-8H2,1-2H3
InChIKeyIRWFZAKJZRCVFO-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.64
Rot. Bonds3

About 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione

1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione (PubChem CID 63266809) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione.

Molecular Properties

Compound Name1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
PubChem CID63266809
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione
SMILESCC1=C(C)C(=O)N(CCc2ccc(O)cc2)C1=O
InChIInChI=1S/C14H15NO3/c1-9-10(2)14(18)15(13(9)17)8-7-11-3-5-12(16)6-4-11/h3-6,16H,7-8H2,1-2H3
InChIKeyIRWFZAKJZRCVFO-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-bis(4-hydroxyphenyl)-1-[2-(4-hydroxyphenyl)ethyl]pyrrole-2,5-dione
CID 163112984
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 19363369
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
CID 58707349
3,4-bis(ethenyl)-1-[4-(4-hydroxyphenyl)butyl]pyrrole-2,5-dione;ethane
CID 143008790
3-[2-(4-hydroxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 18593001
3-hydroxy-4-(4-methoxyphenyl)-1-[2-(4-methoxyphenyl)ethyl]pyrrole-2,5-dione
CID 110580912
2-(4-hydroxyphenyl)ethylazanium
CID 5249538
4-[2-(4-ethylpiperazin-1-yl)ethyl]phenol
CID 82187948
methyl (4Z)-1-[2-(3,4-dimethoxyphenyl)ethyl]-4-[(4-hydroxyphenyl)methylidene]-2-methyl-5-oxopyrrole-3-carboxylate
CID 2270378
4-(4-hydroxyphenyl)-2,5-dimethyl-1H-pyrazol-3-one
CID 165451129

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione?
The IUPAC name of 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione (CID 63266809) is 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione.
What is the SMILES notation for 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione?
The canonical SMILES for 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione is CC1=C(C)C(=O)N(CCc2ccc(O)cc2)C1=O.
What is the InChIKey of 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione?
The InChIKey is IRWFZAKJZRCVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-9-10(2)14(18)15(13(9)17)8-7-11-3-5-12(16)6-4-11/h3-6,16H,7-8H2,1-2H3.
What are the key properties of 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione?
1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione has a molecular weight of 245.28 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-hydroxyphenyl)ethyl]-3,4-dimethylpyrrole-2,5-dione is sourced from PubChem (CID 63266809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).