1-(2,5-dimethylphenyl)-1-methoxypropan-2-one

C12H16O2 — CID 59492308

IUPAC1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C12H16O2/c1-8-5-6-9(2)11(7-8)12(14-4)10(3)13/h5-7,12H,1-4H3
InChIKeyMPDQSKRENUWKKO-UHFFFAOYSA-N
MW192.26 g/mol
LogP2.58
Rot. Bonds3

About 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one

1-(2,5-dimethylphenyl)-1-methoxypropan-2-one (PubChem CID 59492308) has the molecular formula C12H16O2 and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
PubChem CID59492308
Molecular FormulaC12H16O2
Molecular Weight192.26 g/mol
Exact Mass192.12
IUPAC Name1-(2,5-dimethylphenyl)-1-methoxypropan-2-one
SMILESCOC(C(C)=O)c1cc(C)ccc1C
InChIInChI=1S/C12H16O2/c1-8-5-6-9(2)11(7-8)12(14-4)10(3)13/h5-7,12H,1-4H3
InChIKeyMPDQSKRENUWKKO-UHFFFAOYSA-N
XLogP2.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[(2,5-dimethylphenoxy)methyl]phenyl]-1-methoxypropan-2-one
CID 123161205
3-(2,5-dimethylphenyl)-4-methylpentan-2-one
CID 135184841
2-(2,5-dimethylphenyl)-2-(2-hydroxyethoxy)acetic acid
CID 103377595
1-(2,6-dimethylphenyl)-1-methoxypropan-2-one
CID 83224357
1-(2,5-dimethylphenyl)-4-methoxypentan-1-ol
CID 105083992
2-chloro-2-(2,5-dimethylphenyl)acetyl chloride
CID 150440716
1-(2,5-dimethylphenyl)-1-piperidin-1-ylpropan-2-one
CID 116860030
3-hydroxybutan-2-one;1,2,4-trimethylbenzene
CID 153375411
1-bromo-1-(2-methoxy-4-methylphenyl)propan-2-one
CID 130779045
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
ethyl (2S)-3-acetyloxy-2-(2,5-dimethylphenyl)propanoate
CID 101354732
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one (CID 59492308) is 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one is COC(C(C)=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one?
The InChIKey is MPDQSKRENUWKKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O2/c1-8-5-6-9(2)11(7-8)12(14-4)10(3)13/h5-7,12H,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one?
1-(2,5-dimethylphenyl)-1-methoxypropan-2-one has a molecular weight of 192.26 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-1-methoxypropan-2-one is sourced from PubChem (CID 59492308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).