gold;phenol

C12H10AuO2-2 — CID 174951806

IUPACgold;phenol
SMILESOc1cc[c-]cc1.Oc1cc[c-]cc1.[Au]
InChIInChI=1S/2C6H5O.Au/c2*7-6-4-2-1-3-5-6;/h2*2-5,7H;/q2*-1;
InChIKeyZPZNILKUHDGGIZ-UHFFFAOYSA-N
MW383.18 g/mol
LogP2.38
Rot. Bonds

About gold;phenol

gold;phenol (PubChem CID 174951806) has the molecular formula C12H10AuO2-2 and a molecular weight of 383.18 g/mol. Its IUPAC name is gold;phenol.

Molecular Properties

Compound Namegold;phenol
PubChem CID174951806
Molecular FormulaC12H10AuO2-2
Molecular Weight383.18 g/mol
Exact Mass383.04
IUPAC Namegold;phenol
SMILESOc1cc[c-]cc1.Oc1cc[c-]cc1.[Au]
InChIInChI=1S/2C6H5O.Au/c2*7-6-4-2-1-3-5-6;/h2*2-5,7H;/q2*-1;
InChIKeyZPZNILKUHDGGIZ-UHFFFAOYSA-N
XLogP2.38
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.18
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of gold;phenol?
The IUPAC name of gold;phenol (CID 174951806) is gold;phenol.
What is the SMILES notation for gold;phenol?
The canonical SMILES for gold;phenol is Oc1cc[c-]cc1.Oc1cc[c-]cc1.[Au].
What is the InChIKey of gold;phenol?
The InChIKey is ZPZNILKUHDGGIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H5O.Au/c2*7-6-4-2-1-3-5-6;/h2*2-5,7H;/q2*-1;.
What are the key properties of gold;phenol?
gold;phenol has a molecular weight of 383.18 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold;phenol is sourced from PubChem (CID 174951806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).