1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one

C17H26O4 — CID 103178860

IUPAC1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
SMILESCOCCCOCCOC(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26O4/c1-13-6-7-14(2)16(12-13)17(18)15(3)21-11-10-20-9-5-8-19-4/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyKLYNYFWCUOECSM-UHFFFAOYSA-N
MW294.39 g/mol
LogP2.94
Rot. Bonds10

About 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one

1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one (PubChem CID 103178860) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
PubChem CID103178860
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
SMILESCOCCCOCCOC(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C17H26O4/c1-13-6-7-14(2)16(12-13)17(18)15(3)21-11-10-20-9-5-8-19-4/h6-7,12,15H,5,8-11H2,1-4H3
InChIKeyKLYNYFWCUOECSM-UHFFFAOYSA-N
XLogP2.94
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
CID 55231661
1-(2,5-dimethylphenyl)-2-pentoxypropan-1-one
CID 43801300
1-(2,5-dimethylphenyl)-2-(3-methoxypropylsulfonyl)propan-1-one
CID 64636016
1-(2,5-dimethylphenyl)-2-pent-4-enoxypropan-1-one
CID 79112955
1-(2,5-dimethylphenyl)-2-[2-methoxyethyl(methyl)amino]propan-1-one
CID 61427717
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate
CID 7965379
1-(2,4-dimethylphenyl)-2-(3-methoxypropylamino)propan-1-one
CID 82100519
2-[2-(3-methoxypropoxy)ethoxy]propanamide
CID 103179570
2-[(2,5-dimethylbenzoyl)amino]-5-methoxypentanoic acid
CID 81076484
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one (CID 103178860) is 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one is COCCCOCCOC(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one?
The InChIKey is KLYNYFWCUOECSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O4/c1-13-6-7-14(2)16(12-13)17(18)15(3)21-11-10-20-9-5-8-19-4/h6-7,12,15H,5,8-11H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one?
1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one has a molecular weight of 294.39 g/mol, XLogP of 2.94, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one is sourced from PubChem (CID 103178860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).