1-phenylpropan-1-one

C9H10O — CID 7148

IUPAC1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKRIOVPPHQSLHCZ-UHFFFAOYSA-N
MW134.18 g/mol
LogP2.28
Rot. Bonds2

About 1-phenylpropan-1-one

1-phenylpropan-1-one (PubChem CID 7148) has the molecular formula C9H10O and a molecular weight of 134.18 g/mol. Its IUPAC name is 1-phenylpropan-1-one.

Molecular Properties

Compound Name1-phenylpropan-1-one
PubChem CID7148
Molecular FormulaC9H10O
Molecular Weight134.18 g/mol
Exact Mass134.07
IUPAC Name1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
InChIKeyKRIOVPPHQSLHCZ-UHFFFAOYSA-N
XLogP2.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-phenylpropan-1-one?
The IUPAC name of 1-phenylpropan-1-one (CID 7148) is 1-phenylpropan-1-one.
What is the SMILES notation for 1-phenylpropan-1-one?
The canonical SMILES for 1-phenylpropan-1-one is CCC(=O)c1ccccc1.
What is the InChIKey of 1-phenylpropan-1-one?
The InChIKey is KRIOVPPHQSLHCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3.
What are the key properties of 1-phenylpropan-1-one?
1-phenylpropan-1-one has a molecular weight of 134.18 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenylpropan-1-one is sourced from PubChem (CID 7148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).