1-(4-propylphenyl)propan-2-one

C12H16O — CID 82490574

IUPAC1-(4-propylphenyl)propan-2-one
SMILESCCCc1ccc(CC(C)=O)cc1
InChIInChI=1S/C12H16O/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h5-8H,3-4,9H2,1-2H3
InChIKeyJEUVKWCHYFXKON-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.77
Rot. Bonds4

About 1-(4-propylphenyl)propan-2-one

1-(4-propylphenyl)propan-2-one (PubChem CID 82490574) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 1-(4-propylphenyl)propan-2-one.

Molecular Properties

Compound Name1-(4-propylphenyl)propan-2-one
PubChem CID82490574
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name1-(4-propylphenyl)propan-2-one
SMILESCCCc1ccc(CC(C)=O)cc1
InChIInChI=1S/C12H16O/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h5-8H,3-4,9H2,1-2H3
InChIKeyJEUVKWCHYFXKON-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[[4-[(4-butylphenyl)diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970990
1-[4-(3-hydroxybutyl)phenyl]propan-2-one
CID 117114950
1-(4-hydroxyphenyl)propan-2-one
CID 7019274
2-[4-(2-oxopropyl)phenyl]acetyl chloride
CID 145140807
1-[4-(iodomethyl)phenyl]propan-2-one
CID 20596365
1-[4-(fluoromethyl)phenyl]propan-2-one
CID 84652370
1-[4-[5-[2-(4-propylphenyl)prop-2-enyl]pyrimidin-2-yl]phenyl]propan-2-one
CID 167106474
N',N'-dimethyl-2-(4-propylphenyl)acetohydrazide
CID 116847421
benzene;1-phenylpropan-2-one
CID 21430852
1-[4-[[4-[[4-(2-oxopropyl)phenyl]diazenyl]phenyl]diazenyl]phenyl]propan-2-one
CID 159970988
1-[4-[(E)-2-methylbut-2-enyl]phenyl]propan-2-one
CID 155748385
2-methyl-1-(4-propylphenyl)propan-1-one
CID 14770313

Frequently Asked Questions

What is the IUPAC name of 1-(4-propylphenyl)propan-2-one?
The IUPAC name of 1-(4-propylphenyl)propan-2-one (CID 82490574) is 1-(4-propylphenyl)propan-2-one.
What is the SMILES notation for 1-(4-propylphenyl)propan-2-one?
The canonical SMILES for 1-(4-propylphenyl)propan-2-one is CCCc1ccc(CC(C)=O)cc1.
What is the InChIKey of 1-(4-propylphenyl)propan-2-one?
The InChIKey is JEUVKWCHYFXKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-3-4-11-5-7-12(8-6-11)9-10(2)13/h5-8H,3-4,9H2,1-2H3.
What are the key properties of 1-(4-propylphenyl)propan-2-one?
1-(4-propylphenyl)propan-2-one has a molecular weight of 176.26 g/mol, XLogP of 2.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-propylphenyl)propan-2-one is sourced from PubChem (CID 82490574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).