1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one

C16H24O3 — CID 55231661

IUPAC1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
SMILESCCCOCCOC(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H24O3/c1-5-8-18-9-10-19-14(4)16(17)15-11-12(2)6-7-13(15)3/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyYVHOWUFSCMQUMH-UHFFFAOYSA-N
MW264.36 g/mol
LogP3.32
Rot. Bonds8

About 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one

1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one (PubChem CID 55231661) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
PubChem CID55231661
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one
SMILESCCCOCCOC(C)C(=O)c1cc(C)ccc1C
InChIInChI=1S/C16H24O3/c1-5-8-18-9-10-19-14(4)16(17)15-11-12(2)6-7-13(15)3/h6-7,11,14H,5,8-10H2,1-4H3
InChIKeyYVHOWUFSCMQUMH-UHFFFAOYSA-N
XLogP3.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.32
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-(2,5-dimethylphenyl)-2-[2-(3-methoxypropoxy)ethoxy]propan-1-one
CID 103178860
1-(2,5-dimethylphenyl)-2-pentoxypropan-1-one
CID 43801300
1-(2,5-dimethylphenyl)-2-pent-4-enoxypropan-1-one
CID 79112955
ethyl (2S)-3-(2,5-dimethylphenyl)-2-methyl-3-oxopropanoate
CID 97035574
1-(2,5-dimethylphenyl)-2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]propan-1-one
CID 62029445
2-(aminomethyl)-1-(2,5-dimethylphenyl)butan-1-one
CID 116575283
methyl 4-[(2R)-1-(2,5-dimethylphenyl)-1-oxopropan-2-yl]oxybenzoate
CID 7965379
1-(2,5-dimethylphenyl)-2-propylsulfinylpropan-1-one
CID 64640081
2-amino-1-(2,5-dimethylphenyl)-3-methoxypropan-1-one
CID 116594205
1-(2,5-dimethylphenyl)-2-(3-methoxypropylsulfonyl)propan-1-one
CID 64636016
4-(2,5-dimethylphenyl)-4-oxo-3-(propylamino)butanoic acid
CID 82349573
1-(2,5-dimethylphenyl)-2-(2-fluorophenoxy)propan-1-one
CID 43412979

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one?
The IUPAC name of 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one (CID 55231661) is 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one?
The canonical SMILES for 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one is CCCOCCOC(C)C(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one?
The InChIKey is YVHOWUFSCMQUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-8-18-9-10-19-14(4)16(17)15-11-12(2)6-7-13(15)3/h6-7,11,14H,5,8-10H2,1-4H3.
What are the key properties of 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one?
1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one has a molecular weight of 264.36 g/mol, XLogP of 3.32, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-2-(2-propoxyethoxy)propan-1-one is sourced from PubChem (CID 55231661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).