anisole;1-phenylpropan-1-one;propan-2-one

C19H24O3 — CID 174786879

IUPACanisole;1-phenylpropan-1-one;propan-2-one
SMILESCC(C)=O.CCC(=O)c1ccccc1.COc1ccccc1
InChIInChI=1S/C9H10O.C7H8O.C3H6O/c1-2-9(10)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-3(2)4/h3-7H,2H2,1H3;2-6H,1H3;1-2H3
InChIKeyYOBIUJOUJIRQCR-UHFFFAOYSA-N
MW300.40 g/mol
LogP4.57
Rot. Bonds3

About anisole;1-phenylpropan-1-one;propan-2-one

anisole;1-phenylpropan-1-one;propan-2-one (PubChem CID 174786879) has the molecular formula C19H24O3 and a molecular weight of 300.40 g/mol. Its IUPAC name is anisole;1-phenylpropan-1-one;propan-2-one.

Molecular Properties

Compound Nameanisole;1-phenylpropan-1-one;propan-2-one
PubChem CID174786879
Molecular FormulaC19H24O3
Molecular Weight300.40 g/mol
Exact Mass300.17
IUPAC Nameanisole;1-phenylpropan-1-one;propan-2-one
SMILESCC(C)=O.CCC(=O)c1ccccc1.COc1ccccc1
InChIInChI=1S/C9H10O.C7H8O.C3H6O/c1-2-9(10)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-3(2)4/h3-7H,2H2,1H3;2-6H,1H3;1-2H3
InChIKeyYOBIUJOUJIRQCR-UHFFFAOYSA-N
XLogP4.57
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of anisole;1-phenylpropan-1-one;propan-2-one?
The IUPAC name of anisole;1-phenylpropan-1-one;propan-2-one (CID 174786879) is anisole;1-phenylpropan-1-one;propan-2-one.
What is the SMILES notation for anisole;1-phenylpropan-1-one;propan-2-one?
The canonical SMILES for anisole;1-phenylpropan-1-one;propan-2-one is CC(C)=O.CCC(=O)c1ccccc1.COc1ccccc1.
What is the InChIKey of anisole;1-phenylpropan-1-one;propan-2-one?
The InChIKey is YOBIUJOUJIRQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O.C7H8O.C3H6O/c1-2-9(10)8-6-4-3-5-7-8;1-8-7-5-3-2-4-6-7;1-3(2)4/h3-7H,2H2,1H3;2-6H,1H3;1-2H3.
What are the key properties of anisole;1-phenylpropan-1-one;propan-2-one?
anisole;1-phenylpropan-1-one;propan-2-one has a molecular weight of 300.40 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-phenylpropan-1-one;propan-2-one is sourced from PubChem (CID 174786879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).