1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one

C13H18O2 — CID 117114916

IUPAC1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
SMILESCOC(C)(C)c1cccc(CC(C)=O)c1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9H,8H2,1-4H3
InChIKeyQLEXDDRHYWQIHI-UHFFFAOYSA-N
MW206.28 g/mol
LogP2.70
Rot. Bonds4

About 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one

1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one (PubChem CID 117114916) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one.

Molecular Properties

Compound Name1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
PubChem CID117114916
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one
SMILESCOC(C)(C)c1cccc(CC(C)=O)c1
InChIInChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9H,8H2,1-4H3
InChIKeyQLEXDDRHYWQIHI-UHFFFAOYSA-N
XLogP2.70
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 ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-methoxy-2-methylpropan-2-yl)phenyl]propan-2-one
CID 117114961
1-[3-(2-fluoropropan-2-yl)phenyl]propan-2-one
CID 84665532
3-[3-(2-methoxypropan-2-yl)phenyl]-2,2-dimethylpropanoic acid
CID 117107885
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-amine
CID 117111249
1-[3-[(2-methylpropan-2-yl)oxy]phenyl]propan-2-one
CID 58044331
dimethyl 2-[3-(2-methoxy-2-oxoethyl)phenyl]-2-methylpropanedioate
CID 67076719
1-(3-acetylphenyl)propan-2-one
CID 12950417
1-[2-(2-methoxypropan-2-yl)phenyl]propan-2-one
CID 117114917
1-(azidomethyl)-3-(2-methoxypropan-2-yl)benzene
CID 117109137
methyl 2-[3-(trifluoromethyl)phenyl]acetate;molecular nitrogen
CID 175534080
1-(3-chlorophenyl)propan-2-one
CID 2734097
1-(3-phosphanylphenyl)propan-2-one
CID 142179381

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The IUPAC name of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one (CID 117114916) is 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one.
What is the SMILES notation for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The canonical SMILES for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one is COC(C)(C)c1cccc(CC(C)=O)c1.
What is the InChIKey of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one?
The InChIKey is QLEXDDRHYWQIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-10(14)8-11-6-5-7-12(9-11)13(2,3)15-4/h5-7,9H,8H2,1-4H3.
What are the key properties of 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one?
1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one has a molecular weight of 206.28 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxypropan-2-yl)phenyl]propan-2-one is sourced from PubChem (CID 117114916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).