1-(3,5-dimethoxyphenoxy)propan-2-one

C11H14O4 — CID 43411971

IUPAC1-(3,5-dimethoxyphenoxy)propan-2-one
SMILESCOc1cc(OC)cc(OCC(C)=O)c1
InChIInChI=1S/C11H14O4/c1-8(12)7-15-11-5-9(13-2)4-10(6-11)14-3/h4-6H,7H2,1-3H3
InChIKeyBDFZZKHFOBMYJB-UHFFFAOYSA-N
MW210.23 g/mol
LogP1.67
Rot. Bonds5

About 1-(3,5-dimethoxyphenoxy)propan-2-one

1-(3,5-dimethoxyphenoxy)propan-2-one (PubChem CID 43411971) has the molecular formula C11H14O4 and a molecular weight of 210.23 g/mol. Its IUPAC name is 1-(3,5-dimethoxyphenoxy)propan-2-one.

Molecular Properties

Compound Name1-(3,5-dimethoxyphenoxy)propan-2-one
PubChem CID43411971
Molecular FormulaC11H14O4
Molecular Weight210.23 g/mol
Exact Mass210.09
IUPAC Name1-(3,5-dimethoxyphenoxy)propan-2-one
SMILESCOc1cc(OC)cc(OCC(C)=O)c1
InChIInChI=1S/C11H14O4/c1-8(12)7-15-11-5-9(13-2)4-10(6-11)14-3/h4-6H,7H2,1-3H3
InChIKeyBDFZZKHFOBMYJB-UHFFFAOYSA-N
XLogP1.67
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxy-5-methylphenoxy)acetic acid
CID 55264388
2-(3,5-dimethoxyphenoxy)-N',N'-dimethylacetohydrazide
CID 116820842
1-(3-ethoxy-5-methoxyphenyl)propan-2-one
CID 166641883
(3,5-dimethoxyphenyl) 2-(3,5-dimethylphenoxy)acetate
CID 8753296
ethyl 2-(3-methoxy-5-methylphenoxy)acetate
CID 59177445
1,3-dimethoxy-5-(2-methylpent-2-enoxy)benzene
CID 71416363
5-methoxy-2-(2-oxopropoxy)benzonitrile
CID 2917169
1-cyclohexyl-2-(3,5-dimethoxyphenoxy)ethanone
CID 115582293
1-(azepan-1-yl)-2-(3,5-dimethoxyphenoxy)ethanone
CID 112978566
2-(3,5-dimethoxyphenoxy)-N-(4-methoxyphenyl)acetamide
CID 7707204
1-(4-iodo-3-methoxyphenoxy)propan-2-one
CID 59267144
1-[4-[4-(2-oxopropoxy)phenoxy]phenoxy]propan-2-one
CID 134691477

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethoxyphenoxy)propan-2-one?
The IUPAC name of 1-(3,5-dimethoxyphenoxy)propan-2-one (CID 43411971) is 1-(3,5-dimethoxyphenoxy)propan-2-one.
What is the SMILES notation for 1-(3,5-dimethoxyphenoxy)propan-2-one?
The canonical SMILES for 1-(3,5-dimethoxyphenoxy)propan-2-one is COc1cc(OC)cc(OCC(C)=O)c1.
What is the InChIKey of 1-(3,5-dimethoxyphenoxy)propan-2-one?
The InChIKey is BDFZZKHFOBMYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O4/c1-8(12)7-15-11-5-9(13-2)4-10(6-11)14-3/h4-6H,7H2,1-3H3.
What are the key properties of 1-(3,5-dimethoxyphenoxy)propan-2-one?
1-(3,5-dimethoxyphenoxy)propan-2-one has a molecular weight of 210.23 g/mol, XLogP of 1.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethoxyphenoxy)propan-2-one is sourced from PubChem (CID 43411971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).