ethyl benzoate;methoxymethane;propane-1,2-diol

C14H24O5 — CID 70372869

IUPACethyl benzoate;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC(=O)c1ccccc1.COC
InChIInChI=1S/C9H10O2.C3H8O2.C2H6O/c1-2-11-9(10)8-6-4-3-5-7-8;1-3(5)2-4;1-3-2/h3-7H,2H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyLSOVAXWYSYJBNG-UHFFFAOYSA-N
MW272.34 g/mol
LogP1.49
Rot. Bonds3

About ethyl benzoate;methoxymethane;propane-1,2-diol

ethyl benzoate;methoxymethane;propane-1,2-diol (PubChem CID 70372869) has the molecular formula C14H24O5 and a molecular weight of 272.34 g/mol. Its IUPAC name is ethyl benzoate;methoxymethane;propane-1,2-diol.

Molecular Properties

Compound Nameethyl benzoate;methoxymethane;propane-1,2-diol
PubChem CID70372869
Molecular FormulaC14H24O5
Molecular Weight272.34 g/mol
Exact Mass272.16
IUPAC Nameethyl benzoate;methoxymethane;propane-1,2-diol
SMILESCC(O)CO.CCOC(=O)c1ccccc1.COC
InChIInChI=1S/C9H10O2.C3H8O2.C2H6O/c1-2-11-9(10)8-6-4-3-5-7-8;1-3(5)2-4;1-3-2/h3-7H,2H2,1H3;3-5H,2H2,1H3;1-2H3
InChIKeyLSOVAXWYSYJBNG-UHFFFAOYSA-N
XLogP1.49
TPSA75.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl benzoate;methoxymethane;propane-1,2-diol?
The IUPAC name of ethyl benzoate;methoxymethane;propane-1,2-diol (CID 70372869) is ethyl benzoate;methoxymethane;propane-1,2-diol.
What is the SMILES notation for ethyl benzoate;methoxymethane;propane-1,2-diol?
The canonical SMILES for ethyl benzoate;methoxymethane;propane-1,2-diol is CC(O)CO.CCOC(=O)c1ccccc1.COC.
What is the InChIKey of ethyl benzoate;methoxymethane;propane-1,2-diol?
The InChIKey is LSOVAXWYSYJBNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O2.C3H8O2.C2H6O/c1-2-11-9(10)8-6-4-3-5-7-8;1-3(5)2-4;1-3-2/h3-7H,2H2,1H3;3-5H,2H2,1H3;1-2H3.
What are the key properties of ethyl benzoate;methoxymethane;propane-1,2-diol?
ethyl benzoate;methoxymethane;propane-1,2-diol has a molecular weight of 272.34 g/mol, XLogP of 1.49, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl benzoate;methoxymethane;propane-1,2-diol is sourced from PubChem (CID 70372869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).