1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one

C14H20O2 — CID 117114928

IUPAC1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
SMILESCOC(C)(C)Cc1ccccc1CC(C)=O
InChIInChI=1S/C14H20O2/c1-11(15)9-12-7-5-6-8-13(12)10-14(2,3)16-4/h5-8H,9-10H2,1-4H3
InChIKeyNUKRHTUPBPHPHZ-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.79
Rot. Bonds5

About 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one

1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one (PubChem CID 117114928) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
PubChem CID117114928
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one
SMILESCOC(C)(C)Cc1ccccc1CC(C)=O
InChIInChI=1S/C14H20O2/c1-11(15)9-12-7-5-6-8-13(12)10-14(2,3)16-4/h5-8H,9-10H2,1-4H3
InChIKeyNUKRHTUPBPHPHZ-UHFFFAOYSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(2-methoxy-2-methylpropyl)phenyl]ethanone
CID 117112066
2-(2-methoxy-2-methylpropyl)benzoic acid
CID 117111489
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-[2-(methoxymethyl)phenyl]propan-2-one
CID 83874886
methyl 2-[2-(2-oxopropyl)phenyl]acetate
CID 70551388
2-[2-(2-oxopropyl)phenyl]acetamide
CID 174561343
3-methyl-1-[2-(2-oxopropyl)phenyl]butan-2-one
CID 138721805
[2-(2-oxopropyl)phenyl] 2,2-dimethylpropanoate
CID 13066161
(2-methoxy-2-methylpropyl)benzene
CID 3842751
3-cyclopropyl-3-[2-(2-methoxy-2-methylpropyl)phenyl]propanoic acid
CID 117107768
1-(2-prop-1-en-2-ylphenyl)propan-2-one
CID 68638096
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]propan-2-one?
The IUPAC name of 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one (CID 117114928) is 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one.
What is the SMILES notation for 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one?
The canonical SMILES for 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one is COC(C)(C)Cc1ccccc1CC(C)=O.
What is the InChIKey of 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one?
The InChIKey is NUKRHTUPBPHPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(15)9-12-7-5-6-8-13(12)10-14(2,3)16-4/h5-8H,9-10H2,1-4H3.
What are the key properties of 1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one?
1-[2-(2-methoxy-2-methylpropyl)phenyl]propan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.79, 5 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]propan-2-one is sourced from PubChem (CID 117114928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).