ethane;1-(4-methylphenyl)hexan-3-one

C15H24O — CID 143103433

IUPACethane;1-(4-methylphenyl)hexan-3-one
SMILESCC.CCCC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H18O.C2H6/c1-3-4-13(14)10-9-12-7-5-11(2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyIFDPDXQPJYIKAZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.32
Rot. Bonds5

About ethane;1-(4-methylphenyl)hexan-3-one

ethane;1-(4-methylphenyl)hexan-3-one (PubChem CID 143103433) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;1-(4-methylphenyl)hexan-3-one.

Molecular Properties

Compound Nameethane;1-(4-methylphenyl)hexan-3-one
PubChem CID143103433
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Nameethane;1-(4-methylphenyl)hexan-3-one
SMILESCC.CCCC(=O)CCc1ccc(C)cc1
InChIInChI=1S/C13H18O.C2H6/c1-3-4-13(14)10-9-12-7-5-11(2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3
InChIKeyIFDPDXQPJYIKAZ-UHFFFAOYSA-N
XLogP4.32
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-methylphenyl)dodecan-3-one
CID 105086419
butane;ethane;3-(4-methylphenyl)propanoic acid
CID 143489809
1-(4-aminophenyl)hexan-3-one
CID 116605405
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
6-ethylsulfonyl-1-(4-methylphenyl)hexan-3-one
CID 105103997
5-ethyl-1-(4-methylphenyl)heptan-3-one
CID 105125451
1-(4-ethoxyphenyl)hexan-3-one
CID 64505470
ethane;3-(4-methylphenyl)propanamide
CID 142510251
5-methylidene-1-(4-methylphenyl)heptan-3-one
CID 105113317
1-(4-butylphenyl)heptan-4-one
CID 83921783
N-(2-bromoethyl)-3-(4-methylphenyl)-N-propylpropanamide
CID 80661193

Frequently Asked Questions

What is the IUPAC name of ethane;1-(4-methylphenyl)hexan-3-one?
The IUPAC name of ethane;1-(4-methylphenyl)hexan-3-one (CID 143103433) is ethane;1-(4-methylphenyl)hexan-3-one.
What is the SMILES notation for ethane;1-(4-methylphenyl)hexan-3-one?
The canonical SMILES for ethane;1-(4-methylphenyl)hexan-3-one is CC.CCCC(=O)CCc1ccc(C)cc1.
What is the InChIKey of ethane;1-(4-methylphenyl)hexan-3-one?
The InChIKey is IFDPDXQPJYIKAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O.C2H6/c1-3-4-13(14)10-9-12-7-5-11(2)6-8-12;1-2/h5-8H,3-4,9-10H2,1-2H3;1-2H3.
What are the key properties of ethane;1-(4-methylphenyl)hexan-3-one?
ethane;1-(4-methylphenyl)hexan-3-one has a molecular weight of 220.36 g/mol, XLogP of 4.32, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(4-methylphenyl)hexan-3-one is sourced from PubChem (CID 143103433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).