1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone

C16H24O4 — CID 115942350

IUPAC1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCCOC(C)(C)C
InChIInChI=1S/C16H24O4/c1-13(17)14-7-5-6-8-15(14)19-11-9-18-10-12-20-16(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyNTWMILSQKSJMBE-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.10
Rot. Bonds8

About 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone

1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone (PubChem CID 115942350) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
PubChem CID115942350
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCOCCOC(C)(C)C
InChIInChI=1S/C16H24O4/c1-13(17)14-7-5-6-8-15(14)19-11-9-18-10-12-20-16(2,3)4/h5-8H,9-12H2,1-4H3
InChIKeyNTWMILSQKSJMBE-UHFFFAOYSA-N
XLogP3.10
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
1-[2-(2-hexoxyethoxy)phenyl]ethanone
CID 43793758
1,2-bis[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzene
CID 169285678
1-[4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687479
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
1-[2-[2-[2-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]phenyl]ethanone
CID 167050498
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 105128345
methyl 2-[2-[2-(2-methoxycarbonylphenoxy)ethoxy]ethoxy]benzoate
CID 15209322
1-[2-[2-[(6-methylcyclohex-3-en-1-yl)methoxy]ethoxy]phenyl]ethanone
CID 62030623
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone (CID 115942350) is 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone is CC(=O)c1ccccc1OCCOCCOC(C)(C)C.
What is the InChIKey of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone?
The InChIKey is NTWMILSQKSJMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-13(17)14-7-5-6-8-15(14)19-11-9-18-10-12-20-16(2,3)4/h5-8H,9-12H2,1-4H3.
What are the key properties of 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone?
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone has a molecular weight of 280.36 g/mol, XLogP of 3.10, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 115942350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).