ethane;ethanol;phenol

C12H24O2 — CID 90921217

IUPACethane;ethanol;phenol
SMILESCC.CC.CCO.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6O.2C2H6/c7-6-4-2-1-3-5-6;1-2-3;2*1-2/h1-5,7H;3H,2H2,1H3;2*1-2H3
InChIKeyAZTFJTIBUYUQJJ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.44
Rot. Bonds

About ethane;ethanol;phenol

ethane;ethanol;phenol (PubChem CID 90921217) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is ethane;ethanol;phenol.

Molecular Properties

Compound Nameethane;ethanol;phenol
PubChem CID90921217
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameethane;ethanol;phenol
SMILESCC.CC.CCO.Oc1ccccc1
InChIInChI=1S/C6H6O.C2H6O.2C2H6/c7-6-4-2-1-3-5-6;1-2-3;2*1-2/h1-5,7H;3H,2H2,1H3;2*1-2H3
InChIKeyAZTFJTIBUYUQJJ-UHFFFAOYSA-N
XLogP3.44
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Hydroquinone
CID 785
Phenol
CID 996
Tyrosol
CID 10393
Nitrophenols
CID 88473196
4-Iodophenol
CID 10894
4-Fluorophenol
CID 9732
2-Iodophenol
CID 10784
2-Fluorophenol
CID 9707
Mercufenol Chloride
CID 6999
p-Coumaryl alcohol
CID 5280535
(alphaR)-4-Hydroxy-alpha-methylbenzenepropanol
CID 919205
Sodium phenoxide
CID 66602278

Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;phenol?
The IUPAC name of ethane;ethanol;phenol (CID 90921217) is ethane;ethanol;phenol.
What is the SMILES notation for ethane;ethanol;phenol?
The canonical SMILES for ethane;ethanol;phenol is CC.CC.CCO.Oc1ccccc1.
What is the InChIKey of ethane;ethanol;phenol?
The InChIKey is AZTFJTIBUYUQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O.C2H6O.2C2H6/c7-6-4-2-1-3-5-6;1-2-3;2*1-2/h1-5,7H;3H,2H2,1H3;2*1-2H3.
What are the key properties of ethane;ethanol;phenol?
ethane;ethanol;phenol has a molecular weight of 200.32 g/mol, XLogP of 3.44, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;phenol is sourced from PubChem (CID 90921217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).