1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone

C13H18O2 — CID 117112066

IUPAC1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
SMILESCOC(C)(C)Cc1ccccc1C(C)=O
InChIInChI=1S/C13H18O2/c1-10(14)12-8-6-5-7-11(12)9-13(2,3)15-4/h5-8H,9H2,1-4H3
InChIKeyPWGPMPASTMSXIR-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.86
Rot. Bonds4

About 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone

1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone (PubChem CID 117112066) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
PubChem CID117112066
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
SMILESCOC(C)(C)Cc1ccccc1C(C)=O
InChIInChI=1S/C13H18O2/c1-10(14)12-8-6-5-7-11(12)9-13(2,3)15-4/h5-8H,9H2,1-4H3
InChIKeyPWGPMPASTMSXIR-UHFFFAOYSA-N
XLogP2.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
CID 117114928
1-[2-(2,3,3-trimethylbutyl)phenyl]ethanone
CID 164668619
3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
CID 117107768
2-[(3-methoxy-3-methylbutoxy)methyl]benzoic acid
CID 106664742
1-[2-(2-aminoethyl)phenyl]ethanone;ethane
CID 145089346
1-(2-acetylphenyl)ethanone;methane
CID 158210616
2-(2-amino-2-methylpropyl)benzoic acid
CID 175240257
1-[2-(4-hydroxybutyl)phenyl]ethanone
CID 14995224
1-[2-[[2-[(2-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 13256788
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
2-[3-(2-methoxy-2-methylpropyl)phenyl]acetic acid
CID 117111528

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone?
The IUPAC name of 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone (CID 117112066) is 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone is COC(C)(C)Cc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone?
The InChIKey is PWGPMPASTMSXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)12-8-6-5-7-11(12)9-13(2,3)15-4/h5-8H,9H2,1-4H3.
What are the key properties of 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone?
1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone has a molecular weight of 206.28 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone is sourced from PubChem (CID 117112066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).