4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one

C17H23NO3 — CID 59930872

IUPAC4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCOc1cc(C)cc(C)c1C1=C(O)C(C)(C(C)C)NC1=O
InChIInChI=1S/C17H23NO3/c1-9(2)17(5)15(19)14(16(20)18-17)13-11(4)7-10(3)8-12(13)21-6/h7-9,19H,1-6H3,(H,18,20)
InChIKeyRKYKSSISTZFQGC-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.13
Rot. Bonds3

About 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one

4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (PubChem CID 59930872) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
PubChem CID59930872
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one
SMILESCOc1cc(C)cc(C)c1C1=C(O)C(C)(C(C)C)NC1=O
InChIInChI=1S/C17H23NO3/c1-9(2)17(5)15(19)14(16(20)18-17)13-11(4)7-10(3)8-12(13)21-6/h7-9,19H,1-6H3,(H,18,20)
InChIKeyRKYKSSISTZFQGC-UHFFFAOYSA-N
XLogP3.13
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chloro-2-methoxy-6-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2-methylpropanoate
CID 142939075
[2,2-dimethyl-5-oxo-4-(2,4,6-trimethylphenyl)-1H-pyrrol-3-yl] methyl carbonate
CID 12044620
[4-(4-chloro-2-methoxy-6-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate;3-(4-chloro-2-methoxy-6-methylphenyl)-4-hydroxy-5,5-dimethyl-1H-pyrrol-2-one;2,2-dimethylpropanoyl chloride
CID 159448412
8-ethyl-3-(2-ethyl-4,6-dimethylphenyl)-4-hydroxy-8-methoxy-1-azaspiro[4.5]dec-3-en-2-one
CID 76853144
4-(2-methoxy-4,6-dimethylphenyl)phenol
CID 106681641
[4-(2-chloro-6-methoxy-4-methylphenyl)-2,2-dimethyl-5-oxo-1H-pyrrol-3-yl] 2,2-dimethylpropanoate
CID 59030258
1-[4-(2-methoxy-4,6-dimethylphenyl)phenyl]ethanamine
CID 106681095
5-methoxy-2-methyl-2-(2,4,6-trimethylphenyl)-1H-3,1-benzoxazin-4-one
CID 101409679
3-(2-bromo-6-ethyl-4-methylphenyl)-4-hydroxy-8-methoxy-8-methyl-1-azaspiro[4.5]dec-3-en-2-one
CID 59533771
methyl 4-methoxy-3-(2-methoxy-4,6-dimethylphenyl)-2-oxocyclopent-3-ene-1-carboxylate
CID 156689858
3-(2-ethyl-6-methoxy-4-methylphenyl)-4-hydroxy-1-azaspiro[4.5]dec-3-en-2-one;3-(2-ethyl-6-methoxy-4-methylphenyl)-4-methoxycarbothioyloxy-1-azaspiro[4.5]dec-3-en-2-one;O-methyl chloromethanethioate
CID 158709333
8,8-difluoro-4-hydroxy-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;8,8-difluoro-4-methoxycarbothioyloxy-3-(2,4,6-trimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one;O-methyl chloromethanethioate
CID 157421991

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The IUPAC name of 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one (CID 59930872) is 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one.
What is the SMILES notation for 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The canonical SMILES for 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is COc1cc(C)cc(C)c1C1=C(O)C(C)(C(C)C)NC1=O.
What is the InChIKey of 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
The InChIKey is RKYKSSISTZFQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-9(2)17(5)15(19)14(16(20)18-17)13-11(4)7-10(3)8-12(13)21-6/h7-9,19H,1-6H3,(H,18,20).
What are the key properties of 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one?
4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one has a molecular weight of 289.38 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(2-methoxy-4,6-dimethylphenyl)-5-methyl-5-propan-2-yl-1H-pyrrol-2-one is sourced from PubChem (CID 59930872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).