1-cyclopropyl-3-phenylpropan-1-one

C12H14O — CID 24725607

IUPAC1-cyclopropyl-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CC1
InChIInChI=1S/C12H14O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyQHGGLPZDDDVSFA-UHFFFAOYSA-N
MW174.24 g/mol
LogP2.60
Rot. Bonds4

About 1-cyclopropyl-3-phenylpropan-1-one

1-cyclopropyl-3-phenylpropan-1-one (PubChem CID 24725607) has the molecular formula C12H14O and a molecular weight of 174.24 g/mol. Its IUPAC name is 1-cyclopropyl-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-cyclopropyl-3-phenylpropan-1-one
PubChem CID24725607
Molecular FormulaC12H14O
Molecular Weight174.24 g/mol
Exact Mass174.10
IUPAC Name1-cyclopropyl-3-phenylpropan-1-one
SMILESO=C(CCc1ccccc1)C1CC1
InChIInChI=1S/C12H14O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyQHGGLPZDDDVSFA-UHFFFAOYSA-N
XLogP2.60
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.24
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3,4-dimethylcyclohexyl)-3-phenylpropan-1-one
CID 64739627
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-3-phenylpropan-1-one
CID 114962878
3-(4-aminophenyl)-1-cyclopropylpropan-1-one
CID 115605902
1-cyclohexyl-4-phenylbutan-1-one
CID 11481636
1-cyclopropyl-3-(4-methylphenyl)propan-1-one;ethane
CID 143103497
3-phenyl-1-[(3S)-1-(pyrrolidine-1-carbonyl)piperidin-3-yl]propan-1-one
CID 95713443
1-cyclopropyl-3-(3-cyclopropyloxyphenyl)propan-1-one
CID 114522899
1-(2,2-dimethylcyclopropyl)-3-phenylpropan-1-one
CID 107003801
1-cyclopropyl-3-(2-methylphenyl)propan-1-one
CID 24725657
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-cyclopropyl-3-(2-fluorophenyl)propan-1-one
CID 63351757
1-cyclopropyl-4-phenylbutane-1,3-dione
CID 19431038

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-phenylpropan-1-one?
The IUPAC name of 1-cyclopropyl-3-phenylpropan-1-one (CID 24725607) is 1-cyclopropyl-3-phenylpropan-1-one.
What is the SMILES notation for 1-cyclopropyl-3-phenylpropan-1-one?
The canonical SMILES for 1-cyclopropyl-3-phenylpropan-1-one is O=C(CCc1ccccc1)C1CC1.
What is the InChIKey of 1-cyclopropyl-3-phenylpropan-1-one?
The InChIKey is QHGGLPZDDDVSFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O/c13-12(11-7-8-11)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 1-cyclopropyl-3-phenylpropan-1-one?
1-cyclopropyl-3-phenylpropan-1-one has a molecular weight of 174.24 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-phenylpropan-1-one is sourced from PubChem (CID 24725607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).