3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one

C12H16O3 — CID 62796966

IUPAC3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
SMILESCOCCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O3/c1-9-4-5-12(15-3)10(8-9)11(13)6-7-14-2/h4-5,8H,6-7H2,1-3H3
InChIKeyJEQOJPSCPAWHRH-UHFFFAOYSA-N
MW208.26 g/mol
LogP2.22
Rot. Bonds5

About 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one

3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one (PubChem CID 62796966) has the molecular formula C12H16O3 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
PubChem CID62796966
Molecular FormulaC12H16O3
Molecular Weight208.26 g/mol
Exact Mass208.11
IUPAC Name3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one
SMILESCOCCC(=O)c1cc(C)ccc1OC
InChIInChI=1S/C12H16O3/c1-9-4-5-12(15-3)10(8-9)11(13)6-7-14-2/h4-5,8H,6-7H2,1-3H3
InChIKeyJEQOJPSCPAWHRH-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)pentane-1,4-dione
CID 94682943
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
1-(2-methoxy-5-methylphenyl)undecan-1-one
CID 114968931
5-bromo-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 146007223
3-amino-4-methoxy-1-(2-methoxy-5-methylphenyl)butan-1-one
CID 112629857
1-(5-bromo-2,4-dimethoxyphenyl)-3-methoxypropan-1-one
CID 82050580
ethane;(2-methoxy-5-methylphenyl)-phosphanylmethanone
CID 142095957
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
3-ethyl-1-(2-methoxy-5-methylphenyl)pentan-1-one
CID 115795319
N-cyclopropyl-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 18105952
4-(2-methoxy-5-methylphenyl)-4-oxo-N-(2,4,4-trimethylpentan-2-yl)butanamide
CID 108796059
N-(3-ethoxypropyl)-4-(2-methoxy-5-methylphenyl)-4-oxobutanamide
CID 108795981

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one?
The IUPAC name of 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one (CID 62796966) is 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one.
What is the SMILES notation for 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one?
The canonical SMILES for 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one is COCCC(=O)c1cc(C)ccc1OC.
What is the InChIKey of 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one?
The InChIKey is JEQOJPSCPAWHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O3/c1-9-4-5-12(15-3)10(8-9)11(13)6-7-14-2/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one?
3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one has a molecular weight of 208.26 g/mol, XLogP of 2.22, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-(2-methoxy-5-methylphenyl)propan-1-one is sourced from PubChem (CID 62796966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).