1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione

C24H20N2O6 — CID 175617361

IUPAC1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione
SMILESCCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(O)c2)cc(O)c1N1C(=O)C=CC1=O
InChIInChI=1S/C24H20N2O6/c1-3-16-10-15(12-18(28)24(16)26-21(31)6-7-22(26)32)9-14-8-13(2)23(17(27)11-14)25-19(29)4-5-20(25)30/h4-8,10-12,27-28H,3,9H2,1-2H3
InChIKeyXNJSTRICIHKGQE-UHFFFAOYSA-N
MW432.43 g/mol
LogP2.42
Rot. Bonds5

About 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione

1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione (PubChem CID 175617361) has the molecular formula C24H20N2O6 and a molecular weight of 432.43 g/mol. Its IUPAC name is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione
PubChem CID175617361
Molecular FormulaC24H20N2O6
Molecular Weight432.43 g/mol
Exact Mass432.13
IUPAC Name1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione
SMILESCCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(O)c2)cc(O)c1N1C(=O)C=CC1=O
InChIInChI=1S/C24H20N2O6/c1-3-16-10-15(12-18(28)24(16)26-21(31)6-7-22(26)32)9-14-8-13(2)23(17(27)11-14)25-19(29)4-5-20(25)30/h4-8,10-12,27-28H,3,9H2,1-2H3
InChIKeyXNJSTRICIHKGQE-UHFFFAOYSA-N
XLogP2.42
TPSA115.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.43
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 69004958
N,N'-[methylenebis(2-hydroxy-4,1-phenylene)]bis(2-methylpropanamide)
CID 2203693
4-Acetamido-3-hydroxybiphenyl
CID 3014728
3-Hydroxy-N,N'-diacetylbenzidine
CID 54399317
2(1H)-Quinolinone, 8-hydroxy-4-methyl-
CID 181983
10-hydroxy-4,6,9-trimethyl-8-methylidene-1H-pyrido[3,2-g]quinolin-2-one
CID 89122853
(E)-N-(2-hydroxy-4-methylphenyl)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 2460547
4,8-dihydroxy-6-methyl-3-phenyl-1H-quinolin-2-one
CID 134816248
8-Hydroxy-1-methylquinolin-2(1H)-one
CID 14511203
N,N'-[methylenebis(2-hydroxy-4,1-phenylene)]bis(2-methylacrylamide)
CID 5220014
1-[4-[2-[4-(2,5-Dioxopyrrol-1-yl)-3-hydroxyphenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-hydroxyphenyl]pyrrole-2,5-dione
CID 139756126

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione?
The IUPAC name of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione (CID 175617361) is 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione is CCc1cc(Cc2cc(C)c(N3C(=O)C=CC3=O)c(O)c2)cc(O)c1N1C(=O)C=CC1=O.
What is the InChIKey of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione?
The InChIKey is XNJSTRICIHKGQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O6/c1-3-16-10-15(12-18(28)24(16)26-21(31)6-7-22(26)32)9-14-8-13(2)23(17(27)11-14)25-19(29)4-5-20(25)30/h4-8,10-12,27-28H,3,9H2,1-2H3.
What are the key properties of 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione?
1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione has a molecular weight of 432.43 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[4-(2,5-dioxopyrrol-1-yl)-3-ethyl-5-hydroxyphenyl]methyl]-2-hydroxy-6-methylphenyl]pyrrole-2,5-dione is sourced from PubChem (CID 175617361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).