carbon monoxide;1-phenylethanone;toluene

C16H16O2 — CID 158914784

IUPACcarbon monoxide;1-phenylethanone;toluene
SMILESCC(=O)c1ccccc1.Cc1ccccc1.[C-]#[O+]
InChIInChI=1S/C8H8O.C7H8.CO/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;
InChIKeyJHCFLGYMULRLGE-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.85
Rot. Bonds1

About carbon monoxide;1-phenylethanone;toluene

carbon monoxide;1-phenylethanone;toluene (PubChem CID 158914784) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is carbon monoxide;1-phenylethanone;toluene.

Molecular Properties

Compound Namecarbon monoxide;1-phenylethanone;toluene
PubChem CID158914784
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namecarbon monoxide;1-phenylethanone;toluene
SMILESCC(=O)c1ccccc1.Cc1ccccc1.[C-]#[O+]
InChIInChI=1S/C8H8O.C7H8.CO/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;
InChIKeyJHCFLGYMULRLGE-UHFFFAOYSA-N
XLogP3.85
TPSA36.97 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of carbon monoxide;1-phenylethanone;toluene?
The IUPAC name of carbon monoxide;1-phenylethanone;toluene (CID 158914784) is carbon monoxide;1-phenylethanone;toluene.
What is the SMILES notation for carbon monoxide;1-phenylethanone;toluene?
The canonical SMILES for carbon monoxide;1-phenylethanone;toluene is CC(=O)c1ccccc1.Cc1ccccc1.[C-]#[O+].
What is the InChIKey of carbon monoxide;1-phenylethanone;toluene?
The InChIKey is JHCFLGYMULRLGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H8.CO/c1-7(9)8-5-3-2-4-6-8;1-7-5-3-2-4-6-7;1-2/h2-6H,1H3;2-6H,1H3;.
What are the key properties of carbon monoxide;1-phenylethanone;toluene?
carbon monoxide;1-phenylethanone;toluene has a molecular weight of 240.30 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbon monoxide;1-phenylethanone;toluene is sourced from PubChem (CID 158914784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).