1-phenyl(111C)propan-1-one

C9H10O — CID 11159350

IUPAC1-phenyl(111C)propan-1-one
SMILESCC[11C](=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i9-1
InChIKeyKRIOVPPHQSLHCZ-RVRFMXCPSA-N
MW133.18 g/mol
LogP2.28
Rot. Bonds2

About 1-phenyl(111C)propan-1-one

1-phenyl(111C)propan-1-one (PubChem CID 11159350) has the molecular formula C9H10O and a molecular weight of 133.18 g/mol. Its IUPAC name is 1-phenyl(111C)propan-1-one.

Molecular Properties

Compound Name1-phenyl(111C)propan-1-one
PubChem CID11159350
Molecular FormulaC9H10O
Molecular Weight133.18 g/mol
Exact Mass133.08
IUPAC Name1-phenyl(111C)propan-1-one
SMILESCC[11C](=O)c1ccccc1
InChIInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i9-1
InChIKeyKRIOVPPHQSLHCZ-RVRFMXCPSA-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 ≤ 500133.18
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-phenyl(111C)propan-1-one?
The IUPAC name of 1-phenyl(111C)propan-1-one (CID 11159350) is 1-phenyl(111C)propan-1-one.
What is the SMILES notation for 1-phenyl(111C)propan-1-one?
The canonical SMILES for 1-phenyl(111C)propan-1-one is CC[11C](=O)c1ccccc1.
What is the InChIKey of 1-phenyl(111C)propan-1-one?
The InChIKey is KRIOVPPHQSLHCZ-RVRFMXCPSA-N. The full InChI is InChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3/i9-1.
What are the key properties of 1-phenyl(111C)propan-1-one?
1-phenyl(111C)propan-1-one has a molecular weight of 133.18 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-phenyl(111C)propan-1-one is sourced from PubChem (CID 11159350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).