3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one

C14H20O3 — CID 105127255

IUPAC3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
SMILESCCOCCC(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O3/c1-5-17-7-6-13(15)12-8-11(3)14(16-4)9-10(12)2/h8-9H,5-7H2,1-4H3
InChIKeyVIRYHRYPESDMKN-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.92
Rot. Bonds6

About 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one

3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one (PubChem CID 105127255) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
PubChem CID105127255
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
SMILESCCOCCC(=O)c1cc(C)c(OC)cc1C
InChIInChI=1S/C14H20O3/c1-5-17-7-6-13(15)12-8-11(3)14(16-4)9-10(12)2/h8-9H,5-7H2,1-4H3
InChIKeyVIRYHRYPESDMKN-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methoxy-2,5-dimethylphenyl)pentane-1,4-dione
CID 94686157
3-ethoxy-1-(4-methoxy-2-methylphenyl)propan-1-one
CID 105084772
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butan-1-one
CID 113370093
4,4,4-trifluoro-1-(4-methoxy-2,5-dimethylphenyl)butane-1,3-dione
CID 98579550
3-methoxy-1-(2-methoxy-4,5-dimethylphenyl)propan-1-one
CID 82053835
1-(4-methoxy-2,5-dimethylphenyl)pentane-1,3-dione
CID 94262228
1-(3,4-dimethylphenyl)-3-ethoxypropan-1-one
CID 105093547
3-cyclohexyl-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one
CID 115797651
1-(4-methoxy-2,5-dimethylphenyl)-2-propylpentan-1-one
CID 115797809
CID 89325101
CID 89325101
1-(5-tert-butyl-4-methoxy-2-methylphenyl)-3-methoxypropan-1-one
CID 82053745
3-ethoxy-1-(3-fluoro-4-methoxyphenyl)propan-1-one
CID 105097300

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The IUPAC name of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one (CID 105127255) is 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one is CCOCCC(=O)c1cc(C)c(OC)cc1C.
What is the InChIKey of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
The InChIKey is VIRYHRYPESDMKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-5-17-7-6-13(15)12-8-11(3)14(16-4)9-10(12)2/h8-9H,5-7H2,1-4H3.
What are the key properties of 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one?
3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.92, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(4-methoxy-2,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 105127255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).