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

C15H22O4 — CID 105128345

IUPAC1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOCCOc1ccccc1C(=O)COC(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)19-11-13(16)12-7-5-6-8-14(12)18-10-9-17-4/h5-8H,9-11H2,1-4H3
InChIKeyIXNAVMLWANZWJA-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds7

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

1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone (PubChem CID 105128345) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
PubChem CID105128345
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone
SMILESCOCCOc1ccccc1C(=O)COC(C)(C)C
InChIInChI=1S/C15H22O4/c1-15(2,3)19-11-13(16)12-7-5-6-8-14(12)18-10-9-17-4/h5-8H,9-11H2,1-4H3
InChIKeyIXNAVMLWANZWJA-UHFFFAOYSA-N
XLogP2.71
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 52.71
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-methoxyethoxy)phenyl]-2-(methylamino)ethanone
CID 116553800
1-[2-(2-methoxyethoxy)phenyl]pentan-1-one
CID 104659358
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
N-methoxy-2-(2-methoxyethoxy)benzamide
CID 47366431
N-(2-amino-2-methylpropyl)-2-(2-methoxyethoxy)benzamide;hydrochloride
CID 119630205
methyl 2-[2-(2-methoxyethoxy)ethoxy]benzoate
CID 102383086
2-(1-methoxycyclobutyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 103558943
1-[2-(methoxymethoxy)phenyl]propan-1-one
CID 15053855
2-hydroxy-1-[2-(2-methoxyethoxy)phenyl]butan-1-one
CID 103453033
1-[2-(2-methoxyethoxy)phenyl]-3-piperidin-4-ylpropan-1-one
CID 116563449
5-amino-1-[2-(2-methoxyethoxy)phenyl]-4-methylpentan-1-one
CID 116607622
2-(1-aminocyclohexyl)-1-[2-(2-methoxyethoxy)phenyl]ethanone
CID 116579069

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The IUPAC name of 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone (CID 105128345) is 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone.
What is the SMILES notation for 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The canonical SMILES for 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone is COCCOc1ccccc1C(=O)COC(C)(C)C.
What is the InChIKey of 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
The InChIKey is IXNAVMLWANZWJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,3)19-11-13(16)12-7-5-6-8-14(12)18-10-9-17-4/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone?
1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone has a molecular weight of 266.34 g/mol, XLogP of 2.71, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyethoxy)phenyl]-2-[(2-methylpropan-2-yl)oxy]ethanone is sourced from PubChem (CID 105128345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).