1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one

C14H20O3 — CID 102927472

IUPAC1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O3/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6H,7-10H2,1-3H3
InChIKeyVRLQSXFKCBMKLD-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.54
Rot. Bonds7

About 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one

1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one (PubChem CID 102927472) has the molecular formula C14H20O3 and a molecular weight of 236.31 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
PubChem CID102927472
Molecular FormulaC14H20O3
Molecular Weight236.31 g/mol
Exact Mass236.14
IUPAC Name1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one
SMILESCOCCOCCC(=O)c1cccc(C)c1C
InChIInChI=1S/C14H20O3/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6H,7-10H2,1-3H3
InChIKeyVRLQSXFKCBMKLD-UHFFFAOYSA-N
XLogP2.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.54
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

3-(2-methoxyethoxy)-1-naphthalen-1-ylpropan-1-one
CID 113236326
1-(2,3-dimethylphenyl)-4-methylpentan-1-one
CID 62548356
1,3-bis(2,3-dimethylphenyl)propan-1-one
CID 24726238
2-[3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoyl]benzenesulfonate
CID 101117850
1-(2,6-difluorophenyl)-3-(2-methoxyethoxy)propan-1-one
CID 102927411
1-(2,3-dimethylphenyl)-3-methoxy-3-methylbutan-1-one
CID 103023156
1-(2,3-dimethylphenyl)nonan-1-one
CID 112698774
2-[3-(2-methoxyethoxy)propoxy]-1-(2-methylphenyl)ethanone
CID 103403707
2-amino-1-(2,3-dimethylphenyl)-4-methoxybutan-1-one
CID 116567259
1-(2,3-dimethylphenyl)-3-(ethylamino)propan-1-one
CID 116565761
N-(2,3-dimethylphenyl)-4-(2-methoxyethoxy)butanamide
CID 47069804
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-amine
CID 102927761

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one?
The IUPAC name of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one (CID 102927472) is 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one?
The canonical SMILES for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one is COCCOCCC(=O)c1cccc(C)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one?
The InChIKey is VRLQSXFKCBMKLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O3/c1-11-5-4-6-13(12(11)2)14(15)7-8-17-10-9-16-3/h4-6H,7-10H2,1-3H3.
What are the key properties of 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one?
1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one has a molecular weight of 236.31 g/mol, XLogP of 2.54, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-3-(2-methoxyethoxy)propan-1-one is sourced from PubChem (CID 102927472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).