1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one

C12H16O3 — CID 107507960

IUPAC1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C12H16O3/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h4-6H,7-8H2,1-3H3
InChIKeyABVUZTXWTHAYSG-UHFFFAOYSA-N
MW208.26 g/mol
LogP1.90
Rot. Bonds5

About 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one

1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one (PubChem CID 107507960) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
PubChem CID107507960
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one
SMILESCOCC(=O)COc1cc(C)cc(C)c1
InChIInChI=1S/C12H16O3/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h4-6H,7-8H2,1-3H3
InChIKeyABVUZTXWTHAYSG-UHFFFAOYSA-N
XLogP1.90
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chloro-3,5-dimethylphenoxy)-3-methoxypropan-2-one
CID 107508114
1-(3,5-difluorophenoxy)-3-methoxypropan-2-one
CID 107508147
ethyl 4-(3,5-dimethylphenoxy)-3-oxobutanoate
CID 60643754
3-methoxy-5-(3-methoxy-2-oxopropoxy)benzamide
CID 107508253
2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
2-(3,5-dimethylphenoxy)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)acetamide
CID 115902469
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
3-(3,5-dimethylphenoxy)-N-[4-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 46584839
N-(1,3-dichloropropan-2-ylideneamino)-2-(3,5-dimethylphenoxy)acetamide
CID 46741812
1-(3-methyl-5-propan-2-ylphenoxy)pentan-2-one
CID 62044718
1-methoxy-3-(4-nitrophenoxy)propan-2-one
CID 107508000

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one?
The IUPAC name of 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one (CID 107507960) is 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one.
What is the SMILES notation for 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one?
The canonical SMILES for 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one is COCC(=O)COc1cc(C)cc(C)c1.
What is the InChIKey of 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one?
The InChIKey is ABVUZTXWTHAYSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h4-6H,7-8H2,1-3H3.
What are the key properties of 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one?
1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one has a molecular weight of 208.26 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylphenoxy)-3-methoxypropan-2-one is sourced from PubChem (CID 107507960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).