ethane;phenol

C20H36O2 — CID 161156308

IUPACethane;phenol
SMILESCC.CC.CC.CC.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.4C2H6/c2*7-6-4-2-1-3-5-6;4*1-2/h2*1-5,7H;4*1-2H3
InChIKeyUPILXWMCXHZIOB-UHFFFAOYSA-N
MW308.51 g/mol
LogP6.89
Rot. Bonds

About ethane;phenol

ethane;phenol (PubChem CID 161156308) has the molecular formula C20H36O2 and a molecular weight of 308.51 g/mol. Its IUPAC name is ethane;phenol.

Molecular Properties

Compound Nameethane;phenol
PubChem CID161156308
Molecular FormulaC20H36O2
Molecular Weight308.51 g/mol
Exact Mass308.27
IUPAC Nameethane;phenol
SMILESCC.CC.CC.CC.Oc1ccccc1.Oc1ccccc1
InChIInChI=1S/2C6H6O.4C2H6/c2*7-6-4-2-1-3-5-6;4*1-2/h2*1-5,7H;4*1-2H3
InChIKeyUPILXWMCXHZIOB-UHFFFAOYSA-N
XLogP6.89
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.51
LogP ≤ 56.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

argon;phenol
CID 159678450
molybdenum;phenol
CID 154246724
phenol;phosphane
CID 159689182
CID 67496590
CID 67496590
phenol;tantalum
CID 19915613
neodymium;phenol
CID 154361260
phenol;titanium(2+)
CID 23042599
CID 159904044
CID 159904044
aluminum phenol
CID 19023057
CID 161001247
CID 161001247
phenol;chloride
CID 23313261
phenol;bis(yttrium)
CID 59089942

Frequently Asked Questions

What is the IUPAC name of ethane;phenol?
The IUPAC name of ethane;phenol (CID 161156308) is ethane;phenol.
What is the SMILES notation for ethane;phenol?
The canonical SMILES for ethane;phenol is CC.CC.CC.CC.Oc1ccccc1.Oc1ccccc1.
What is the InChIKey of ethane;phenol?
The InChIKey is UPILXWMCXHZIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6O.4C2H6/c2*7-6-4-2-1-3-5-6;4*1-2/h2*1-5,7H;4*1-2H3.
What are the key properties of ethane;phenol?
ethane;phenol has a molecular weight of 308.51 g/mol, XLogP of 6.89, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;phenol is sourced from PubChem (CID 161156308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).