4-(3,4-dimethylphenyl)butan-2-one;propane

C15H24O — CID 143070567

IUPAC4-(3,4-dimethylphenyl)butan-2-one;propane
SMILESCC(=O)CCc1ccc(C)c(C)c1.CCC
InChIInChI=1S/C12H16O.C3H8/c1-9-4-6-12(8-10(9)2)7-5-11(3)13;1-3-2/h4,6,8H,5,7H2,1-3H3;3H2,1-2H3
InChIKeyBSNDSZFOFAROMH-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.24
Rot. Bonds3

About 4-(3,4-dimethylphenyl)butan-2-one;propane

4-(3,4-dimethylphenyl)butan-2-one;propane (PubChem CID 143070567) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)butan-2-one;propane.

Molecular Properties

Compound Name4-(3,4-dimethylphenyl)butan-2-one;propane
PubChem CID143070567
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-(3,4-dimethylphenyl)butan-2-one;propane
SMILESCC(=O)CCc1ccc(C)c(C)c1.CCC
InChIInChI=1S/C12H16O.C3H8/c1-9-4-6-12(8-10(9)2)7-5-11(3)13;1-3-2/h4,6,8H,5,7H2,1-3H3;3H2,1-2H3
InChIKeyBSNDSZFOFAROMH-UHFFFAOYSA-N
XLogP4.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-hydroxy-4-methylphenyl)butan-2-one
CID 83695947
4-(3-iodo-4-methylphenyl)butan-2-one
CID 130470899
ethane;4-[3-(hydroxyamino)-4-methylphenyl]butan-2-one
CID 143272325
N-[2-(3,4-dimethylphenyl)ethyl]-3-oxobutanamide
CID 115176506
3-(3,4-dimethylphenyl)-1-(3,5-dimethylphenyl)propan-1-one
CID 24726455
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
1-cyclopentyl-3-(3,4-dimethylphenyl)propan-1-one
CID 24726480
4-[3-[(3,4-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63344782
6-(3,4-dimethylphenyl)-2-methylhexan-3-one
CID 64504298
4-(4-amino-3-ethylphenyl)butan-2-one;ethane
CID 143247195
1-[2-(3,4-dimethylphenyl)ethyl]-3-propylurea
CID 110775625
butan-2-one;ethane;4-ethyl-1,2-dimethylbenzene;2-methylbutane
CID 142121166

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)butan-2-one;propane?
The IUPAC name of 4-(3,4-dimethylphenyl)butan-2-one;propane (CID 143070567) is 4-(3,4-dimethylphenyl)butan-2-one;propane.
What is the SMILES notation for 4-(3,4-dimethylphenyl)butan-2-one;propane?
The canonical SMILES for 4-(3,4-dimethylphenyl)butan-2-one;propane is CC(=O)CCc1ccc(C)c(C)c1.CCC.
What is the InChIKey of 4-(3,4-dimethylphenyl)butan-2-one;propane?
The InChIKey is BSNDSZFOFAROMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O.C3H8/c1-9-4-6-12(8-10(9)2)7-5-11(3)13;1-3-2/h4,6,8H,5,7H2,1-3H3;3H2,1-2H3.
What are the key properties of 4-(3,4-dimethylphenyl)butan-2-one;propane?
4-(3,4-dimethylphenyl)butan-2-one;propane has a molecular weight of 220.36 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylphenyl)butan-2-one;propane is sourced from PubChem (CID 143070567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).