ethanol;4-methylphenol;propan-2-one;toluene

C19H28O3 — CID 175315882

IUPACethanol;4-methylphenol;propan-2-one;toluene
SMILESCC(C)=O.CCO.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H8.C3H6O.C2H6O/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h2-5,8H,1H3;2-6H,1H3;1-2H3;3H,2H2,1H3
InChIKeyVYSIBHACSWXJQA-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.29
Rot. Bonds

About ethanol;4-methylphenol;propan-2-one;toluene

ethanol;4-methylphenol;propan-2-one;toluene (PubChem CID 175315882) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethanol;4-methylphenol;propan-2-one;toluene.

Molecular Properties

Compound Nameethanol;4-methylphenol;propan-2-one;toluene
PubChem CID175315882
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Nameethanol;4-methylphenol;propan-2-one;toluene
SMILESCC(C)=O.CCO.Cc1ccc(O)cc1.Cc1ccccc1
InChIInChI=1S/C7H8O.C7H8.C3H6O.C2H6O/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h2-5,8H,1H3;2-6H,1H3;1-2H3;3H,2H2,1H3
InChIKeyVYSIBHACSWXJQA-UHFFFAOYSA-N
XLogP4.29
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;4-methylphenol;propan-2-one;toluene?
The IUPAC name of ethanol;4-methylphenol;propan-2-one;toluene (CID 175315882) is ethanol;4-methylphenol;propan-2-one;toluene.
What is the SMILES notation for ethanol;4-methylphenol;propan-2-one;toluene?
The canonical SMILES for ethanol;4-methylphenol;propan-2-one;toluene is CC(C)=O.CCO.Cc1ccc(O)cc1.Cc1ccccc1.
What is the InChIKey of ethanol;4-methylphenol;propan-2-one;toluene?
The InChIKey is VYSIBHACSWXJQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8O.C7H8.C3H6O.C2H6O/c1-6-2-4-7(8)5-3-6;1-7-5-3-2-4-6-7;1-3(2)4;1-2-3/h2-5,8H,1H3;2-6H,1H3;1-2H3;3H,2H2,1H3.
What are the key properties of ethanol;4-methylphenol;propan-2-one;toluene?
ethanol;4-methylphenol;propan-2-one;toluene has a molecular weight of 304.43 g/mol, XLogP of 4.29, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;4-methylphenol;propan-2-one;toluene is sourced from PubChem (CID 175315882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).