2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate

C24H23NO8 — CID 145121812

IUPAC2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESCOCCOc1ccc(C(=O)c2ccc(OCCOC(=O)CN3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C24H23NO8/c1-30-12-13-31-19-6-2-17(3-7-19)24(29)18-4-8-20(9-5-18)32-14-15-33-23(28)16-25-21(26)10-11-22(25)27/h2-11H,12-16H2,1H3
InChIKeyYTYSHMBYHXODIB-UHFFFAOYSA-N
MW453.45 g/mol
LogP1.79
Rot. Bonds12

About 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate

2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate (PubChem CID 145121812) has the molecular formula C24H23NO8 and a molecular weight of 453.45 g/mol. Its IUPAC name is 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate.

Molecular Properties

Compound Name2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
PubChem CID145121812
Molecular FormulaC24H23NO8
Molecular Weight453.45 g/mol
Exact Mass453.14
IUPAC Name2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
SMILESCOCCOc1ccc(C(=O)c2ccc(OCCOC(=O)CN3C(=O)C=CC3=O)cc2)cc1
InChIInChI=1S/C24H23NO8/c1-30-12-13-31-19-6-2-17(3-7-19)24(29)18-4-8-20(9-5-18)32-14-15-33-23(28)16-25-21(26)10-11-22(25)27/h2-11H,12-16H2,1H3
InChIKeyYTYSHMBYHXODIB-UHFFFAOYSA-N
XLogP1.79
TPSA108.44 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-acetylphenoxy)ethyl]pyrrole-2,5-dione
CID 139985290
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate
CID 138557066
bis[4-[2-(3-methylbuta-1,3-dien-2-yloxy)ethoxy]phenyl]methanone
CID 121309000
2-[4-(4-methylbenzoyl)phenoxy]ethyl acetate
CID 141354412
2-[4-(4-methoxybenzoyl)phenoxy]ethyl prop-2-enoate
CID 67393291
2-phenoxyethyl 2-(1,3-dioxoisoindol-2-yl)acetate
CID 4682406
(2-chloro-4-pyridinyl)-[4-(2-methoxyethoxy)phenyl]methanone
CID 138538855
2,2-dimethyl-1-(4-methylphenyl)propan-1-one;2-[4-(2,2-dimethylpropanoyl)phenoxy]ethyl 2-(1,3-dioxoisoindol-2-yl)acetate;4-[4-(2-methoxyethoxy)phenyl]butan-2-one
CID 54250117
methyl 4-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]benzoate
CID 104560522
benzoic acid;bis(4-(2-methoxyethoxy)benzoic acid)
CID 91308161
[4-(2-hydroxyethoxy)phenyl]-(4-methoxyphenyl)methanone
CID 66778395
methyl 4-(2-propanoyloxyethoxy)benzoate
CID 59386419

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The IUPAC name of 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate (CID 145121812) is 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate.
What is the SMILES notation for 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The canonical SMILES for 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate is COCCOc1ccc(C(=O)c2ccc(OCCOC(=O)CN3C(=O)C=CC3=O)cc2)cc1.
What is the InChIKey of 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
The InChIKey is YTYSHMBYHXODIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO8/c1-30-12-13-31-19-6-2-17(3-7-19)24(29)18-4-8-20(9-5-18)32-14-15-33-23(28)16-25-21(26)10-11-22(25)27/h2-11H,12-16H2,1H3.
What are the key properties of 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate?
2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate has a molecular weight of 453.45 g/mol, XLogP of 1.79, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methoxyethoxy)benzoyl]phenoxy]ethyl 2-(2,5-dioxopyrrol-1-yl)acetate is sourced from PubChem (CID 145121812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).