methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate

C27H25NO6 — CID 94073146

IUPACmethyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1
InChIInChI=1S/C27H25NO6/c1-32-21-14-12-17(13-15-21)23-24(18-8-10-19(11-9-18)27(31)34-3)28(26(30)25(23)29)16-20-6-4-5-7-22(20)33-2/h4-15,24,29H,16H2,1-3H3/t24-/m1/s1
InChIKeyOAJPNEBLQUEUGF-XMMPIXPASA-N
MW459.50 g/mol
LogP4.54
Rot. Bonds7

About methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate

methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate (PubChem CID 94073146) has the molecular formula C27H25NO6 and a molecular weight of 459.50 g/mol. Its IUPAC name is methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
PubChem CID94073146
Molecular FormulaC27H25NO6
Molecular Weight459.50 g/mol
Exact Mass459.17
IUPAC Namemethyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
SMILESCOC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1
InChIInChI=1S/C27H25NO6/c1-32-21-14-12-17(13-15-21)23-24(18-8-10-19(11-9-18)27(31)34-3)28(26(30)25(23)29)16-20-6-4-5-7-22(20)33-2/h4-15,24,29H,16H2,1-3H3/t24-/m1/s1
InChIKeyOAJPNEBLQUEUGF-XMMPIXPASA-N
XLogP4.54
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.50
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate with MolForge

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Related Compounds

(2S)-1-[(2,4-dimethoxyphenyl)methyl]-4-hydroxy-3-(4-methoxyphenyl)-2-phenyl-2H-pyrrol-5-one
CID 94073209
(2S)-2-(4-chlorophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072815
methyl 4-[4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-(4-methylphenyl)sulfonyl-5-oxo-2H-pyrrol-2-yl]benzoate
CID 53017803
methyl 4-[(2R)-1-[(4-fluorophenyl)methyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 94073138
(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94072850
2-(4-ethylphenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 50774223
methyl 4-[1-[2-(3,4-dimethoxyphenyl)ethyl]-4-hydroxy-5-oxo-3-phenyl-2H-pyrrol-2-yl]benzoate
CID 50774303
(2R)-2-(3-bromophenyl)-4-hydroxy-1-[(2-methoxyphenyl)methyl]-3-phenyl-2H-pyrrol-5-one
CID 94072838
(2S)-2-(4-ethylphenyl)-4-hydroxy-3-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]-2H-pyrrol-5-one
CID 94072923
(2S)-3-(4-chlorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-2-phenyl-2H-pyrrol-5-one
CID 94071913
methyl 4-[(2R)-4-hydroxy-3-(4-methylphenyl)-1-[(4-methylsulfanylphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate
CID 94073158
(2R)-2-(4-fluorophenyl)-4-hydroxy-1-[(4-methoxyphenyl)methyl]-3-(4-methylphenyl)-2H-pyrrol-5-one
CID 94072858

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate?
The IUPAC name of methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate (CID 94073146) is methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate.
What is the SMILES notation for methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate?
The canonical SMILES for methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate is COC(=O)c1ccc([C@@H]2C(c3ccc(OC)cc3)=C(O)C(=O)N2Cc2ccccc2OC)cc1.
What is the InChIKey of methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate?
The InChIKey is OAJPNEBLQUEUGF-XMMPIXPASA-N. The full InChI is InChI=1S/C27H25NO6/c1-32-21-14-12-17(13-15-21)23-24(18-8-10-19(11-9-18)27(31)34-3)28(26(30)25(23)29)16-20-6-4-5-7-22(20)33-2/h4-15,24,29H,16H2,1-3H3/t24-/m1/s1.
What are the key properties of methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate?
methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate has a molecular weight of 459.50 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(2R)-4-hydroxy-3-(4-methoxyphenyl)-1-[(2-methoxyphenyl)methyl]-5-oxo-2H-pyrrol-2-yl]benzoate is sourced from PubChem (CID 94073146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).