methanol;propanoic acid;toluene

C11H18O3 — CID 70424209

IUPACmethanol;propanoic acid;toluene
SMILESCCC(=O)O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-3(4)5;1-2/h2-6H,1H3;2H2,1H3,(H,4,5);2H,1H3
InChIKeyRPRBGWVMPPAOFG-UHFFFAOYSA-N
MW198.26 g/mol
LogP2.08
Rot. Bonds1

About methanol;propanoic acid;toluene

methanol;propanoic acid;toluene (PubChem CID 70424209) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is methanol;propanoic acid;toluene.

Molecular Properties

Compound Namemethanol;propanoic acid;toluene
PubChem CID70424209
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Namemethanol;propanoic acid;toluene
SMILESCCC(=O)O.CO.Cc1ccccc1
InChIInChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-3(4)5;1-2/h2-6H,1H3;2H2,1H3,(H,4,5);2H,1H3
InChIKeyRPRBGWVMPPAOFG-UHFFFAOYSA-N
XLogP2.08
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of methanol;propanoic acid;toluene?
The IUPAC name of methanol;propanoic acid;toluene (CID 70424209) is methanol;propanoic acid;toluene.
What is the SMILES notation for methanol;propanoic acid;toluene?
The canonical SMILES for methanol;propanoic acid;toluene is CCC(=O)O.CO.Cc1ccccc1.
What is the InChIKey of methanol;propanoic acid;toluene?
The InChIKey is RPRBGWVMPPAOFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H6O2.CH4O/c1-7-5-3-2-4-6-7;1-2-3(4)5;1-2/h2-6H,1H3;2H2,1H3,(H,4,5);2H,1H3.
What are the key properties of methanol;propanoic acid;toluene?
methanol;propanoic acid;toluene has a molecular weight of 198.26 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;propanoic acid;toluene is sourced from PubChem (CID 70424209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).