anisole;1-phenylethanone;toluene

C22H24O2 — CID 157308620

IUPACanisole;1-phenylethanone;toluene
SMILESCC(=O)c1ccccc1.COc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H8O.C7H8O.C7H8/c1-7(9)8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3;2-6H,1H3
InChIKeyBCTWHTUZHQXPBU-UHFFFAOYSA-N
MW320.43 g/mol
LogP5.58
Rot. Bonds2

About anisole;1-phenylethanone;toluene

anisole;1-phenylethanone;toluene (PubChem CID 157308620) has the molecular formula C22H24O2 and a molecular weight of 320.43 g/mol. Its IUPAC name is anisole;1-phenylethanone;toluene.

Molecular Properties

Compound Nameanisole;1-phenylethanone;toluene
PubChem CID157308620
Molecular FormulaC22H24O2
Molecular Weight320.43 g/mol
Exact Mass320.18
IUPAC Nameanisole;1-phenylethanone;toluene
SMILESCC(=O)c1ccccc1.COc1ccccc1.Cc1ccccc1
InChIInChI=1S/C8H8O.C7H8O.C7H8/c1-7(9)8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3;2-6H,1H3
InChIKeyBCTWHTUZHQXPBU-UHFFFAOYSA-N
XLogP5.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.43
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of anisole;1-phenylethanone;toluene?
The IUPAC name of anisole;1-phenylethanone;toluene (CID 157308620) is anisole;1-phenylethanone;toluene.
What is the SMILES notation for anisole;1-phenylethanone;toluene?
The canonical SMILES for anisole;1-phenylethanone;toluene is CC(=O)c1ccccc1.COc1ccccc1.Cc1ccccc1.
What is the InChIKey of anisole;1-phenylethanone;toluene?
The InChIKey is BCTWHTUZHQXPBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O.C7H8O.C7H8/c1-7(9)8-5-3-2-4-6-8;1-8-7-5-3-2-4-6-7;1-7-5-3-2-4-6-7/h2-6H,1H3;2-6H,1H3;2-6H,1H3.
What are the key properties of anisole;1-phenylethanone;toluene?
anisole;1-phenylethanone;toluene has a molecular weight of 320.43 g/mol, XLogP of 5.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for anisole;1-phenylethanone;toluene is sourced from PubChem (CID 157308620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).