benzene;ethane;methanol

C10H20O2 — CID 54085610

IUPACbenzene;ethane;methanol
SMILESCC.CO.CO.c1ccccc1
InChIInChI=1S/C6H6.C2H6.2CH4O/c1-2-4-6-5-3-1;3*1-2/h1-6H;1-2H3;2*2H,1H3
InChIKeyMQFXLTQLPFVUSA-UHFFFAOYSA-N
MW172.27 g/mol
LogP1.93
Rot. Bonds

About benzene;ethane;methanol

benzene;ethane;methanol (PubChem CID 54085610) has the molecular formula C10H20O2 and a molecular weight of 172.27 g/mol. Its IUPAC name is benzene;ethane;methanol.

Molecular Properties

Compound Namebenzene;ethane;methanol
PubChem CID54085610
Molecular FormulaC10H20O2
Molecular Weight172.27 g/mol
Exact Mass172.15
IUPAC Namebenzene;ethane;methanol
SMILESCC.CO.CO.c1ccccc1
InChIInChI=1S/C6H6.C2H6.2CH4O/c1-2-4-6-5-3-1;3*1-2/h1-6H;1-2H3;2*2H,1H3
InChIKeyMQFXLTQLPFVUSA-UHFFFAOYSA-N
XLogP1.93
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzene;ethane;methanol?
The IUPAC name of benzene;ethane;methanol (CID 54085610) is benzene;ethane;methanol.
What is the SMILES notation for benzene;ethane;methanol?
The canonical SMILES for benzene;ethane;methanol is CC.CO.CO.c1ccccc1.
What is the InChIKey of benzene;ethane;methanol?
The InChIKey is MQFXLTQLPFVUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.C2H6.2CH4O/c1-2-4-6-5-3-1;3*1-2/h1-6H;1-2H3;2*2H,1H3.
What are the key properties of benzene;ethane;methanol?
benzene;ethane;methanol has a molecular weight of 172.27 g/mol, XLogP of 1.93, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;ethane;methanol is sourced from PubChem (CID 54085610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).