ethanol;2-(trioxidanyl)phenol

C8H12O5 — CID 173403198

IUPACethanol;2-(trioxidanyl)phenol
SMILESCCO.OOOc1ccccc1O
InChIInChI=1S/C6H6O4.C2H6O/c7-5-3-1-2-4-6(5)9-10-8;1-2-3/h1-4,7-8H;3H,2H2,1H3
InChIKeyVRXVCCLCMHLETD-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.17
Rot. Bonds2

About ethanol;2-(trioxidanyl)phenol

ethanol;2-(trioxidanyl)phenol (PubChem CID 173403198) has the molecular formula C8H12O5 and a molecular weight of 188.18 g/mol. Its IUPAC name is ethanol;2-(trioxidanyl)phenol.

Molecular Properties

Compound Nameethanol;2-(trioxidanyl)phenol
PubChem CID173403198
Molecular FormulaC8H12O5
Molecular Weight188.18 g/mol
Exact Mass188.07
IUPAC Nameethanol;2-(trioxidanyl)phenol
SMILESCCO.OOOc1ccccc1O
InChIInChI=1S/C6H6O4.C2H6O/c7-5-3-1-2-4-6(5)9-10-8;1-2-3/h1-4,7-8H;3H,2H2,1H3
InChIKeyVRXVCCLCMHLETD-UHFFFAOYSA-N
XLogP1.17
TPSA79.15 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(trioxidanyl)benzene
CID 142903582
1-ethyl-2-(trioxidanyl)benzene
CID 54124310
2-methylperoxyphenol
CID 18702042
ethene;2-(2-hydroxyphenyl)peroxyphenol
CID 163415506
benzene-1,2-diol;ethanol;hydroxylamine
CID 70173315
CID 174763347
CID 174763347
2-[2-(aminomethyl)butoxy]phenol
CID 117241870
azane;2-methoxyphenol
CID 172717837
2-(2-hydroxyphenoxy)phenol;phosphane
CID 174791785
diethyl (2-hydroxyphenyl) phosphite
CID 23414626
2-tridecoxyphenol
CID 67178320
methanethiol;2-methoxyphenol
CID 141484211

Frequently Asked Questions

What is the IUPAC name of ethanol;2-(trioxidanyl)phenol?
The IUPAC name of ethanol;2-(trioxidanyl)phenol (CID 173403198) is ethanol;2-(trioxidanyl)phenol.
What is the SMILES notation for ethanol;2-(trioxidanyl)phenol?
The canonical SMILES for ethanol;2-(trioxidanyl)phenol is CCO.OOOc1ccccc1O.
What is the InChIKey of ethanol;2-(trioxidanyl)phenol?
The InChIKey is VRXVCCLCMHLETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6O4.C2H6O/c7-5-3-1-2-4-6(5)9-10-8;1-2-3/h1-4,7-8H;3H,2H2,1H3.
What are the key properties of ethanol;2-(trioxidanyl)phenol?
ethanol;2-(trioxidanyl)phenol has a molecular weight of 188.18 g/mol, XLogP of 1.17, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;2-(trioxidanyl)phenol is sourced from PubChem (CID 173403198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).