benzene;ethanol

C12H24O3 — CID 90710186

IUPACbenzene;ethanol
SMILESCCO.CCO.CCO.c1ccccc1
InChIInChI=1S/C6H6.3C2H6O/c1-2-4-6-5-3-1;3*1-2-3/h1-6H;3*3H,2H2,1H3
InChIKeyQPDZXOKJFMCFGV-UHFFFAOYSA-N
MW216.32 g/mol
LogP1.68
Rot. Bonds

About benzene;ethanol

benzene;ethanol (PubChem CID 90710186) has the molecular formula C12H24O3 and a molecular weight of 216.32 g/mol. Its IUPAC name is benzene;ethanol.

Molecular Properties

Compound Namebenzene;ethanol
PubChem CID90710186
Molecular FormulaC12H24O3
Molecular Weight216.32 g/mol
Exact Mass216.17
IUPAC Namebenzene;ethanol
SMILESCCO.CCO.CCO.c1ccccc1
InChIInChI=1S/C6H6.3C2H6O/c1-2-4-6-5-3-1;3*1-2-3/h1-6H;3*3H,2H2,1H3
InChIKeyQPDZXOKJFMCFGV-UHFFFAOYSA-N
XLogP1.68
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.32
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzene;ethanol?
The IUPAC name of benzene;ethanol (CID 90710186) is benzene;ethanol.
What is the SMILES notation for benzene;ethanol?
The canonical SMILES for benzene;ethanol is CCO.CCO.CCO.c1ccccc1.
What is the InChIKey of benzene;ethanol?
The InChIKey is QPDZXOKJFMCFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.3C2H6O/c1-2-4-6-5-3-1;3*1-2-3/h1-6H;3*3H,2H2,1H3.
What are the key properties of benzene;ethanol?
benzene;ethanol has a molecular weight of 216.32 g/mol, XLogP of 1.68, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethanol is sourced from PubChem (CID 90710186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).