1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone

C35H62O15 — CID 143391101

IUPAC1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
SMILESCCCOCCOCCOCCOc1c(OCCOCCOCCOCCOC)cc(C(C)=O)cc1OCCOCCOCCOCCOC
InChIInChI=1S/C35H62O15/c1-5-6-39-11-12-42-19-22-47-25-28-50-35-33(48-26-23-45-20-17-43-15-13-40-9-7-37-3)29-32(31(2)36)30-34(35)49-27-24-46-21-18-44-16-14-41-10-8-38-4/h29-30H,5-28H2,1-4H3
InChIKeyXZUOZXCWHYXGBC-UHFFFAOYSA-N
MW722.87 g/mol
LogP2.88
Rot. Bonds39

About 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone

1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone (PubChem CID 143391101) has the molecular formula C35H62O15 and a molecular weight of 722.87 g/mol. Its IUPAC name is 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
PubChem CID143391101
Molecular FormulaC35H62O15
Molecular Weight722.87 g/mol
Exact Mass722.41
IUPAC Name1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone
SMILESCCCOCCOCCOCCOc1c(OCCOCCOCCOCCOC)cc(C(C)=O)cc1OCCOCCOCCOCCOC
InChIInChI=1S/C35H62O15/c1-5-6-39-11-12-42-19-22-47-25-28-50-35-33(48-26-23-45-20-17-43-15-13-40-9-7-37-3)29-32(31(2)36)30-34(35)49-27-24-46-21-18-44-16-14-41-10-8-38-4/h29-30H,5-28H2,1-4H3
InChIKeyXZUOZXCWHYXGBC-UHFFFAOYSA-N
XLogP2.88
TPSA146.29 Ų
H-Bond Donors
H-Bond Acceptors15
Rotatable Bonds39
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500722.87
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)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-[3,4,5-tris[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 58858900
1-(3,4,5-triheptoxyphenyl)ethanone
CID 23127598
methyl 3,4,5-tripropoxybenzoate
CID 19820325
methyl 3,5-bis[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]-4-[[3,4,5-tris[[3,4,5-tris[2-(2-methoxyethoxy)ethoxy]phenyl]methoxy]phenyl]methoxy]benzoate
CID 102291539
1-[2-methoxy-6-(2-propoxyethoxy)phenyl]ethanone
CID 113388904
1-[3-acetyl-5-[2-[2-[2-(3,5-diacetylphenoxy)ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 176917432
methyl 4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-3,5-bis[2-[2-[2-[2-[2-[2-[2-[2-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoate
CID 122449041
1-[3,4,5-tris(hex-5-ynoxy)phenyl]ethanone
CID 166834577
6-[3,4,5-tris[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 102282602
1-methoxy-2-(2-methoxyethoxy)ethane;1-propoxypropane
CID 160614249
1-[3-amino-5-bromo-2-(2-propoxyethoxy)phenyl]ethanone
CID 106449370
1-[4-(2-butoxyethoxy)-3-chlorophenyl]ethanone
CID 55132462

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone (CID 143391101) is 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone is CCCOCCOCCOCCOc1c(OCCOCCOCCOCCOC)cc(C(C)=O)cc1OCCOCCOCCOCCOC.
What is the InChIKey of 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is XZUOZXCWHYXGBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H62O15/c1-5-6-39-11-12-42-19-22-47-25-28-50-35-33(48-26-23-45-20-17-43-15-13-40-9-7-37-3)29-32(31(2)36)30-34(35)49-27-24-46-21-18-44-16-14-41-10-8-38-4/h29-30H,5-28H2,1-4H3.
What are the key properties of 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone?
1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 722.87 g/mol, XLogP of 2.88, 39 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 143391101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).