4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

C27H33NO7 — CID 4634684

IUPAC4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC2CCCO2)ccc1OCCC(C)C
InChIInChI=1S/C27H33NO7/c1-16(2)11-13-34-20-10-8-18(14-22(20)32-4)24-23(25(29)21-9-7-17(3)35-21)26(30)27(31)28(24)15-19-6-5-12-33-19/h7-10,14,16,19,24,30H,5-6,11-13,15H2,1-4H3
InChIKeyFAQFEYXYOLICSS-UHFFFAOYSA-N
MW483.56 g/mol
LogP4.78
Rot. Bonds10

About 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one

4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (PubChem CID 4634684) has the molecular formula C27H33NO7 and a molecular weight of 483.56 g/mol. Its IUPAC name is 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
PubChem CID4634684
Molecular FormulaC27H33NO7
Molecular Weight483.56 g/mol
Exact Mass483.23
IUPAC Name4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
SMILESCOc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC2CCCO2)ccc1OCCC(C)C
InChIInChI=1S/C27H33NO7/c1-16(2)11-13-34-20-10-8-18(14-22(20)32-4)24-23(25(29)21-9-7-17(3)35-21)26(30)27(31)28(24)15-19-6-5-12-33-19/h7-10,14,16,19,24,30H,5-6,11-13,15H2,1-4H3
InChIKeyFAQFEYXYOLICSS-UHFFFAOYSA-N
XLogP4.78
TPSA98.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.56
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,5-dimethoxyphenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 4633728
4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(5-methyl-1,2-oxazol-3-yl)-2H-pyrrol-5-one
CID 3249549
2-(3,4-dimethoxyphenyl)-3-(furan-2-carbonyl)-4-hydroxy-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one
CID 2934517
(2R)-3-acetyl-2-(3,4-dimethoxyphenyl)-4-hydroxy-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1364706
(4E)-4-[hydroxy(phenyl)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-(oxolan-2-ylmethyl)pyrrolidine-2,3-dione
CID 6170940
(2R)-2-(3-chlorophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2R)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1033351
(2S)-2-(3-bromophenyl)-4-hydroxy-3-(5-methylfuran-2-carbonyl)-1-[[(2S)-oxolan-2-yl]methyl]-2H-pyrrol-5-one
CID 1033324
1-[3-methoxy-4-(3-methylbutoxy)phenyl]-6,7-dimethyl-2-(oxolan-2-ylmethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18820433
(5S)-4-[hydroxy-(4-propoxyphenyl)methylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 27301261
(5S)-4-[(4-butoxyphenyl)-hydroxymethylidene]-5-[3-methoxy-4-(3-methylbutoxy)phenyl]-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidine-2,3-dione
CID 98128759
2-(3,4-dimethoxyphenyl)-4-hydroxy-1-(2-methoxyethyl)-3-(5-methylfuran-2-carbonyl)-2H-pyrrol-5-one
CID 3147569
(4R)-3-(2-hydroxyphenyl)-4-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-[[(2S)-oxolan-2-yl]methyl]-1,4-dihydropyrrolo[3,4-d]pyrazol-6-one
CID 136767190

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The IUPAC name of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one (CID 4634684) is 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one.
What is the SMILES notation for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The canonical SMILES for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is COc1cc(C2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CC2CCCO2)ccc1OCCC(C)C.
What is the InChIKey of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
The InChIKey is FAQFEYXYOLICSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33NO7/c1-16(2)11-13-34-20-10-8-18(14-22(20)32-4)24-23(25(29)21-9-7-17(3)35-21)26(30)27(31)28(24)15-19-6-5-12-33-19/h7-10,14,16,19,24,30H,5-6,11-13,15H2,1-4H3.
What are the key properties of 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one?
4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one has a molecular weight of 483.56 g/mol, XLogP of 4.78, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[3-methoxy-4-(3-methylbutoxy)phenyl]-3-(5-methylfuran-2-carbonyl)-1-(oxolan-2-ylmethyl)-2H-pyrrol-5-one is sourced from PubChem (CID 4634684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).