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

C14H20O3 — CID 112687603

IUPAC1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(15)12-5-7-13(8-6-12)16-9-10-17-14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyWECZJKIFYFBCSW-UHFFFAOYSA-N
MW236.31 g/mol
LogP3.08
Rot. Bonds5

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

1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone (PubChem CID 112687603) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
PubChem CID112687603
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCCOC(C)(C)C)cc1
InChIInChI=1S/C14H20O3/c1-11(15)12-5-7-13(8-6-12)16-9-10-17-14(2,3)4/h5-8H,9-10H2,1-4H3
InChIKeyWECZJKIFYFBCSW-UHFFFAOYSA-N
XLogP3.08
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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
4-[3-[(2-methylpropan-2-yl)oxy]propoxy]benzoic acid
CID 55179745
1-[5-[2-[(2-methylpropan-2-yl)oxy]ethoxy]-2-pyridinyl]ethanone
CID 112587862
1-[4-[2-[(4-acetylphenoxy)methoxy]ethoxy]phenyl]ethanone
CID 20752101
(NZ)-N-[1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]propylidene]hydroxylamine
CID 112589710
1-[4-[2-[4-(2,2-dimethylpropanoyl)phenoxy]ethoxy]phenyl]-2,2-dimethylpropan-1-one
CID 143868791
1-[4-[4-(4-propoxyphenyl)phenyl]phenyl]ethanone
CID 59457885
2-(4-acetylphenoxy)ethylboronic acid
CID 130141835
[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]boronic acid
CID 54970401
2-amino-2-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]acetic acid
CID 151837397
1-(4-but-3-ynoxyphenyl)ethanone
CID 24705601

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone (CID 112687603) is 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone is CC(=O)c1ccc(OCCOC(C)(C)C)cc1.
What is the InChIKey of 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
The InChIKey is WECZJKIFYFBCSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11(15)12-5-7-13(8-6-12)16-9-10-17-14(2,3)4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone?
1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone has a molecular weight of 236.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[(2-methylpropan-2-yl)oxy]ethoxy]phenyl]ethanone is sourced from PubChem (CID 112687603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).