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

C13H18O2 — CID 82053867

IUPAC1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
SMILESCCOc1cc(C)c(C)cc1C(=O)CC
InChIInChI=1S/C13H18O2/c1-5-12(14)11-7-9(3)10(4)8-13(11)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDMHZLPVHQSKGNT-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.29
Rot. Bonds4

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

1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one (PubChem CID 82053867) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
PubChem CID82053867
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one
SMILESCCOc1cc(C)c(C)cc1C(=O)CC
InChIInChI=1S/C13H18O2/c1-5-12(14)11-7-9(3)10(4)8-13(11)15-6-2/h7-8H,5-6H2,1-4H3
InChIKeyDMHZLPVHQSKGNT-UHFFFAOYSA-N
XLogP3.29
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(diethylamino)-1-(2-ethoxy-4,5-dimethylphenyl)ethanone
CID 82053889
2-amino-1-(4-ethoxy-2,5-dimethylphenyl)ethanone
CID 82048712
1-(4-ethoxy-2,5-dimethylphenyl)-2-sulfanylethanone
CID 82128115
1-(4-ethoxy-2,5-dimethylphenyl)butane-1,2-dione
CID 94686162
ethyl 4-ethoxy-2,5-dimethylbenzoate
CID 82552309
1-(5-tert-butyl-2-ethoxyphenyl)propan-1-one
CID 82053491
2-chloro-1-(4,5-dimethyl-2-propoxyphenyl)ethanone
CID 82053916
ethane;1-(2-ethoxyphenyl)propan-1-one
CID 145111899
2-ethoxy-4,5-dimethylphenol
CID 82053903
methyl 4-(5-chloro-2-ethoxy-4-methylphenyl)-4-oxobutanoate
CID 82553262
formic acid;1-(2,4,5-triethoxyphenyl)butan-1-one
CID 166142099
4-(2-ethoxy-4,5-dimethoxyphenyl)-4-oxobutanoic acid
CID 21430095

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one?
The IUPAC name of 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one (CID 82053867) is 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one.
What is the SMILES notation for 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one?
The canonical SMILES for 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one is CCOc1cc(C)c(C)cc1C(=O)CC.
What is the InChIKey of 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one?
The InChIKey is DMHZLPVHQSKGNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O2/c1-5-12(14)11-7-9(3)10(4)8-13(11)15-6-2/h7-8H,5-6H2,1-4H3.
What are the key properties of 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one?
1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one has a molecular weight of 206.28 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxy-4,5-dimethylphenyl)propan-1-one is sourced from PubChem (CID 82053867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).