1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone

C15H22O4 — CID 112588381

IUPAC1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone
SMILESCOc1ccc(C(=O)COCCOC(C)(C)C)cc1
InChIInChI=1S/C15H22O4/c1-15(2,3)19-10-9-18-11-14(16)12-5-7-13(17-4)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyCPYMXDOATMDANX-UHFFFAOYSA-N
MW266.34 g/mol
LogP2.71
Rot. Bonds7

About 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone

1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone (PubChem CID 112588381) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone
PubChem CID112588381
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone
SMILESCOc1ccc(C(=O)COCCOC(C)(C)C)cc1
InChIInChI=1S/C15H22O4/c1-15(2,3)19-10-9-18-11-14(16)12-5-7-13(17-4)8-6-12/h5-8H,9-11H2,1-4H3
InChIKeyCPYMXDOATMDANX-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

2-but-3-enoxy-1-(4-methoxyphenyl)ethanone
CID 62031391
4-[2-(4-methoxyphenyl)-2-oxoethoxy]butyl methanesulfonate
CID 102236855
4-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]benzoic acid
CID 58645066
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propan-1-one
CID 112687937
2,2-dimethylpropane;1-(4-methoxyphenyl)propan-1-one
CID 143304952
2-methoxy-1-[4-(4-methoxyphenyl)phenyl]ethanone
CID 82053413
1-(4-fluorophenyl)-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-one
CID 112588313
azane;2-bromo-1-(4-methoxyphenyl)ethanone
CID 118975954
1-(4-tert-butylphenyl)-2-propoxyethanone
CID 62548710
4-amino-1-(4-methoxyphenyl)-4-methylpentan-1-one
CID 116571375
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
CID 112687603
2-(cyclohexylmethoxy)-1-(4-methoxyphenyl)ethanone
CID 62381534

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone?
The IUPAC name of 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone (CID 112588381) is 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone is COc1ccc(C(=O)COCCOC(C)(C)C)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone?
The InChIKey is CPYMXDOATMDANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-15(2,3)19-10-9-18-11-14(16)12-5-7-13(17-4)8-6-12/h5-8H,9-11H2,1-4H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone?
1-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]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-(4-methoxyphenyl)-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethanone is sourced from PubChem (CID 112588381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).