ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one

C21H36O6 — CID 144680496

IUPACethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
SMILESCC.CCCOCCOCCOCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C19H30O6.C2H6/c1-4-9-22-10-11-23-12-13-24-14-15-25-17-7-5-16(6-8-17)18(20)19(2,3)21;1-2/h5-8,21H,4,9-15H2,1-3H3;1-2H3
InChIKeyJCNMZQWIULSPMV-UHFFFAOYSA-N
MW384.51 g/mol
LogP3.51
Rot. Bonds14

About ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one

ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one (PubChem CID 144680496) has the molecular formula C21H36O6 and a molecular weight of 384.51 g/mol. Its IUPAC name is ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one.

Molecular Properties

Compound Nameethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
PubChem CID144680496
Molecular FormulaC21H36O6
Molecular Weight384.51 g/mol
Exact Mass384.25
IUPAC Nameethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one
SMILESCC.CCCOCCOCCOCCOc1ccc(C(=O)C(C)(C)O)cc1
InChIInChI=1S/C19H30O6.C2H6/c1-4-9-22-10-11-23-12-13-24-14-15-25-17-7-5-16(6-8-17)18(20)19(2,3)21;1-2/h5-8,21H,4,9-15H2,1-3H3;1-2H3
InChIKeyJCNMZQWIULSPMV-UHFFFAOYSA-N
XLogP3.51
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(2-ethoxyethoxy)phenyl]-2-hydroxy-2-methylpropan-1-one
CID 67978987
2-hydroxy-1-[4-[2-(2-hydroxyethoxy)ethoxy]phenyl]-2-methylpropan-1-one
CID 22956687
2-hydroxy-1-[4-(2-methoxyethoxy)phenyl]-2-methylpropan-1-one
CID 20659085
2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl butanoate
CID 59265217
1-(4-ethoxyphenyl)-2-hydroxy-2-methylpropan-1-one
CID 18728715
ethyl-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl]-dimethylazanium
CID 118135437
2-hydroxy-1-[4-[2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyldisulfanyl]ethoxy]phenyl]-2-methylpropan-1-one
CID 162507967
ethyl 2-[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethoxy]propanoate
CID 151465505
tris[2-[4-(2-hydroxy-2-methylpropanoyl)phenoxy]ethyl] benzene-1,3,5-tricarboxylate
CID 135308581
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
2-hydroxy-1-[4-(2-hydroxyethoxy)phenyl]-2-methylpropan-1-one;2-hydroxy-2-methyl-1-phenylpropan-1-one
CID 90092001
2-hydroxy-1-[4-[2-[2-[2-[[4-(2-hydroxy-2-methylpropanoyl)phenyl]methoxy]ethoxy]ethoxy]ethoxymethyl]phenyl]-2-methylpropan-1-one
CID 68740379

Frequently Asked Questions

What is the IUPAC name of ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one?
The IUPAC name of ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one (CID 144680496) is ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one.
What is the SMILES notation for ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one?
The canonical SMILES for ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one is CC.CCCOCCOCCOCCOc1ccc(C(=O)C(C)(C)O)cc1.
What is the InChIKey of ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one?
The InChIKey is JCNMZQWIULSPMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O6.C2H6/c1-4-9-22-10-11-23-12-13-24-14-15-25-17-7-5-16(6-8-17)18(20)19(2,3)21;1-2/h5-8,21H,4,9-15H2,1-3H3;1-2H3.
What are the key properties of ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one?
ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one has a molecular weight of 384.51 g/mol, XLogP of 3.51, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-hydroxy-2-methyl-1-[4-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]propan-1-one is sourced from PubChem (CID 144680496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).