methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate

C21H21NO6 — CID 40541278

IUPACmethyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate
SMILESCOC(=O)C[C@]1(O)C(=O)C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1
InChIInChI=1S/C21H21NO6/c1-26-16-8-4-14(5-9-16)18-12-19(23)21(25,13-20(24)28-3)22(18)15-6-10-17(27-2)11-7-15/h4-12,25H,13H2,1-3H3/t21-/m0/s1
InChIKeySZPOLBLDTIZFGK-NRFANRHFSA-N
MW383.40 g/mol
LogP2.39
Rot. Bonds6

About methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate

methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate (PubChem CID 40541278) has the molecular formula C21H21NO6 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate
PubChem CID40541278
Molecular FormulaC21H21NO6
Molecular Weight383.40 g/mol
Exact Mass383.14
IUPAC Namemethyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate
SMILESCOC(=O)C[C@]1(O)C(=O)C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1
InChIInChI=1S/C21H21NO6/c1-26-16-8-4-14(5-9-16)18-12-19(23)21(25,13-20(24)28-3)22(18)15-6-10-17(27-2)11-7-15/h4-12,25H,13H2,1-3H3/t21-/m0/s1
InChIKeySZPOLBLDTIZFGK-NRFANRHFSA-N
XLogP2.39
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate with MolForge

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Related Compounds

methyl 2-[2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate
CID 14272789
methyl 2-[(2R)-1-(4-acetylphenyl)-5-(4-chlorophenyl)-2-hydroxy-3-oxopyrrol-2-yl]acetate
CID 27059603
methyl 2-[4-acetyl-2-hydroxy-1-(4-methylphenyl)-3-oxo-5-phenylpyrrol-2-yl]acetate
CID 133065019
methyl 2-[1-(2-amino-4,5-dimethylphenyl)-2-hydroxy-4-(4-methoxybenzoyl)-5-(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate
CID 12997025
methyl 2-[[1,5-bis(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfinyl]acetate
CID 70494312
5-benzyl-3,5-dihydroxy-1-(4-methoxyphenyl)-4-phenylpyrrol-2-one
CID 135002668
5,5-dichloro-1-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 141228935
bis(4-methoxyphenyl) propanedioate
CID 12000137
N,1-bis(4-methoxyphenyl)-2-(4-methylphenyl)-4-oxoazetidine-2-carboxamide
CID 3837519
1-(4-methoxyphenyl)-4,8,8,8a-tetramethyl-2-phenylfuro[3,4-f]indole-5,7-dione
CID 59449840
methyl 3-(4-methoxyphenoxy)butanoate
CID 43536008
N-[4-[3-methoxy-5-(4-methylphenyl)-1,2,4-triazol-1-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 1026844

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate?
The IUPAC name of methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate (CID 40541278) is methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate.
What is the SMILES notation for methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate?
The canonical SMILES for methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate is COC(=O)C[C@]1(O)C(=O)C=C(c2ccc(OC)cc2)N1c1ccc(OC)cc1.
What is the InChIKey of methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate?
The InChIKey is SZPOLBLDTIZFGK-NRFANRHFSA-N. The full InChI is InChI=1S/C21H21NO6/c1-26-16-8-4-14(5-9-16)18-12-19(23)21(25,13-20(24)28-3)22(18)15-6-10-17(27-2)11-7-15/h4-12,25H,13H2,1-3H3/t21-/m0/s1.
What are the key properties of methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate?
methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate has a molecular weight of 383.40 g/mol, XLogP of 2.39, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S)-2-hydroxy-1,5-bis(4-methoxyphenyl)-3-oxopyrrol-2-yl]acetate is sourced from PubChem (CID 40541278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).