benzene;cyclohexane;ethanol

C14H24O — CID 19700095

IUPACbenzene;cyclohexane;ethanol
SMILESC1CCCCC1.CCO.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h1-6H2;1-6H;3H,2H2,1H3
InChIKeyQIMHAFBFYOIDFM-UHFFFAOYSA-N
MW208.34 g/mol
LogP4.03
Rot. Bonds

About benzene;cyclohexane;ethanol

benzene;cyclohexane;ethanol (PubChem CID 19700095) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is benzene;cyclohexane;ethanol.

Molecular Properties

Compound Namebenzene;cyclohexane;ethanol
PubChem CID19700095
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Namebenzene;cyclohexane;ethanol
SMILESC1CCCCC1.CCO.c1ccccc1
InChIInChI=1S/C6H12.C6H6.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h1-6H2;1-6H;3H,2H2,1H3
InChIKeyQIMHAFBFYOIDFM-UHFFFAOYSA-N
XLogP4.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzene;cyclohexane;ethanol?
The IUPAC name of benzene;cyclohexane;ethanol (CID 19700095) is benzene;cyclohexane;ethanol.
What is the SMILES notation for benzene;cyclohexane;ethanol?
The canonical SMILES for benzene;cyclohexane;ethanol is C1CCCCC1.CCO.c1ccccc1.
What is the InChIKey of benzene;cyclohexane;ethanol?
The InChIKey is QIMHAFBFYOIDFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12.C6H6.C2H6O/c2*1-2-4-6-5-3-1;1-2-3/h1-6H2;1-6H;3H,2H2,1H3.
What are the key properties of benzene;cyclohexane;ethanol?
benzene;cyclohexane;ethanol has a molecular weight of 208.34 g/mol, XLogP of 4.03, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;cyclohexane;ethanol is sourced from PubChem (CID 19700095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).