1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one

C14H20O2 — CID 105123546

IUPAC1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one
SMILESCc1cccc(C)c1CC(=O)COC(C)C
InChIInChI=1S/C14H20O2/c1-10(2)16-9-13(15)8-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3
InChIKeyDNDSTQXEHFOTGN-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.84
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one

1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one (PubChem CID 105123546) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one
PubChem CID105123546
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one
SMILESCc1cccc(C)c1CC(=O)COC(C)C
InChIInChI=1S/C14H20O2/c1-10(2)16-9-13(15)8-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3
InChIKeyDNDSTQXEHFOTGN-UHFFFAOYSA-N
XLogP2.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one (CID 105123546) is 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one is Cc1cccc(C)c1CC(=O)COC(C)C.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one?
The InChIKey is DNDSTQXEHFOTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-10(2)16-9-13(15)8-14-11(3)6-5-7-12(14)4/h5-7,10H,8-9H2,1-4H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one?
1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one has a molecular weight of 220.31 g/mol, XLogP of 2.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-propan-2-yloxypropan-2-one is sourced from PubChem (CID 105123546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).