phenol;quinoxaline;hydrate

C14H14N2O2 — CID 174252210

IUPACphenol;quinoxaline;hydrate
SMILESO.Oc1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C6H6O.H2O/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6;/h1-6H;1-5,7H;1H2
InChIKeyOMXFFDXSROTFMX-UHFFFAOYSA-N
MW242.28 g/mol
LogP2.20
Rot. Bonds

About phenol;quinoxaline;hydrate

phenol;quinoxaline;hydrate (PubChem CID 174252210) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is phenol;quinoxaline;hydrate.

Molecular Properties

Compound Namephenol;quinoxaline;hydrate
PubChem CID174252210
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Namephenol;quinoxaline;hydrate
SMILESO.Oc1ccccc1.c1ccc2nccnc2c1
InChIInChI=1S/C8H6N2.C6H6O.H2O/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6;/h1-6H;1-5,7H;1H2
InChIKeyOMXFFDXSROTFMX-UHFFFAOYSA-N
XLogP2.20
TPSA77.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of phenol;quinoxaline;hydrate?
The IUPAC name of phenol;quinoxaline;hydrate (CID 174252210) is phenol;quinoxaline;hydrate.
What is the SMILES notation for phenol;quinoxaline;hydrate?
The canonical SMILES for phenol;quinoxaline;hydrate is O.Oc1ccccc1.c1ccc2nccnc2c1.
What is the InChIKey of phenol;quinoxaline;hydrate?
The InChIKey is OMXFFDXSROTFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C6H6O.H2O/c1-2-4-8-7(3-1)9-5-6-10-8;7-6-4-2-1-3-5-6;/h1-6H;1-5,7H;1H2.
What are the key properties of phenol;quinoxaline;hydrate?
phenol;quinoxaline;hydrate has a molecular weight of 242.28 g/mol, XLogP of 2.20, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenol;quinoxaline;hydrate is sourced from PubChem (CID 174252210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).