1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone

C26H30O8 — CID 176917432

IUPAC1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCCOCCOCCOc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C26H30O8/c1-17(27)21-11-22(18(2)28)14-25(13-21)33-9-7-31-5-6-32-8-10-34-26-15-23(19(3)29)12-24(16-26)20(4)30/h11-16H,5-10H2,1-4H3
InChIKeyIUWGEHXCJWLIPC-UHFFFAOYSA-N
MW470.52 g/mol
LogP3.99
Rot. Bonds15

About 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone

1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 176917432) has the molecular formula C26H30O8 and a molecular weight of 470.52 g/mol. Its IUPAC name is 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
PubChem CID176917432
Molecular FormulaC26H30O8
Molecular Weight470.52 g/mol
Exact Mass470.19
IUPAC Name1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1cc(OCCOCCOCCOc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1
InChIInChI=1S/C26H30O8/c1-17(27)21-11-22(18(2)28)14-25(13-21)33-9-7-31-5-6-32-8-10-34-26-15-23(19(3)29)12-24(16-26)20(4)30/h11-16H,5-10H2,1-4H3
InChIKeyIUWGEHXCJWLIPC-UHFFFAOYSA-N
XLogP3.99
TPSA105.20 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.52
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-acetyl-5-(2-aminoethoxy)phenyl]ethanone
CID 160658832
dimethyl 5-[2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 57387038
1-[3,5-bis(3-hydroxypropoxy)phenyl]ethanone
CID 118893996
1-[3-amino-5-(2-methoxyethoxy)phenyl]ethanone
CID 88985945
1-[3,5-di(pentadecoxy)phenyl]ethanone
CID 70379796
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
1-[3-acetyl-5-(3,5-diacetylphenoxy)phenyl]ethanone;ethane
CID 142513776
methane;1-[4-[2-(2-prop-2-enoxyethoxy)ethoxy]phenyl]ethanone
CID 161243882
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
CID 143391101
1-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 58858900
dimethyl 5-[2-[2-[(Z)-2-[2-[2-[3,5-bis(methoxycarbonyl)phenoxy]ethoxy]ethylsulfanyl]-1,2-dicyanoethenyl]sulfanylethoxy]ethoxy]benzene-1,3-dicarboxylate
CID 122393646
3-methoxycarbonyl-5-(2-methoxyethoxy)benzoate
CID 170984662

Frequently Asked Questions

What is the IUPAC name of 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone (CID 176917432) is 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1cc(OCCOCCOCCOc2cc(C(C)=O)cc(C(C)=O)c2)cc(C(C)=O)c1.
What is the InChIKey of 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is IUWGEHXCJWLIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O8/c1-17(27)21-11-22(18(2)28)14-25(13-21)33-9-7-31-5-6-32-8-10-34-26-15-23(19(3)29)12-24(16-26)20(4)30/h11-16H,5-10H2,1-4H3.
What are the key properties of 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone?
1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 470.52 g/mol, XLogP of 3.99, 15 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 176917432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).