(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one

C19H17NO5 — CID 780348

IUPAC(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1
InChIInChI=1S/C19H17NO5/c1-11(21)16-17(12-4-3-5-15(10-12)25-2)20(19(24)18(16)23)13-6-8-14(22)9-7-13/h3-10,17,22-23H,1-2H3/t17-/m1/s1
InChIKeyBCDBQNALJSJQPC-QGZVFWFLSA-N
MW339.35 g/mol
LogP2.89
Rot. Bonds4

About (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one

(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one (PubChem CID 780348) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one.

Molecular Properties

Compound Name(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
PubChem CID780348
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one
SMILESCOc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1
InChIInChI=1S/C19H17NO5/c1-11(21)16-17(12-4-3-5-15(10-12)25-2)20(19(24)18(16)23)13-6-8-14(22)9-7-13/h3-10,17,22-23H,1-2H3/t17-/m1/s1
InChIKeyBCDBQNALJSJQPC-QGZVFWFLSA-N
XLogP2.89
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-1-phenyl-2H-pyrrol-5-one
CID 134115145
2-[4-[(2S)-3-acetyl-4-hydroxy-2-(3-methoxyphenyl)-5-oxo-2H-pyrrol-1-yl]phenoxy]acetic acid
CID 1259404
3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 4638719
(2R)-3-acetyl-4-hydroxy-1-(3-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 949634
1-(4-fluorophenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577109
(2R)-3-acetyl-2-(2,5-dimethoxyphenyl)-4-hydroxy-1-(4-hydroxyphenyl)-2H-pyrrol-5-one
CID 1112595
1-(4-tert-butylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108666301
2-[4-[4-hydroxy-2-(3-methoxyphenyl)-5-oxo-3-propanoyl-2H-pyrrol-1-yl]phenyl]acetic acid
CID 108666735
1-(4-ethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-(2-methylpropanoyl)-2H-pyrrol-5-one
CID 108577369
(2S)-3-acetyl-1-(2,2-dimethoxyethyl)-4-hydroxy-2-(3-methoxyphenyl)-2H-pyrrol-5-one
CID 1092492
(2S)-3-acetyl-4-hydroxy-2-(3-hydroxyphenyl)-1-(4-methylphenyl)-2H-pyrrol-5-one
CID 51854887
1-(3,4-dimethylphenyl)-4-hydroxy-2-(3-methoxyphenyl)-3-propanoyl-2H-pyrrol-5-one
CID 108577544

Frequently Asked Questions

What is the IUPAC name of (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one?
The IUPAC name of (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one (CID 780348) is (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one.
What is the SMILES notation for (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one?
The canonical SMILES for (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one is COc1cccc([C@@H]2C(C(C)=O)=C(O)C(=O)N2c2ccc(O)cc2)c1.
What is the InChIKey of (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one?
The InChIKey is BCDBQNALJSJQPC-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17NO5/c1-11(21)16-17(12-4-3-5-15(10-12)25-2)20(19(24)18(16)23)13-6-8-14(22)9-7-13/h3-10,17,22-23H,1-2H3/t17-/m1/s1.
What are the key properties of (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one?
(2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one has a molecular weight of 339.35 g/mol, XLogP of 2.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-acetyl-4-hydroxy-1-(4-hydroxyphenyl)-2-(3-methoxyphenyl)-2H-pyrrol-5-one is sourced from PubChem (CID 780348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).