gold(1+);2-phenylpropane-1,2-diol

C9H11AuO2 — CID 88672185

IUPACgold(1+);2-phenylpropane-1,2-diol
SMILES[Au+].[CH2-]C(O)(CO)c1ccccc1
InChIInChI=1S/C9H11O2.Au/c1-9(11,7-10)8-5-3-2-4-6-8;/h2-6,10-11H,1,7H2;/q-1;+1
InChIKeyKIGHMYBKRCGAMG-UHFFFAOYSA-N
MW348.15 g/mol
LogP0.70
Rot. Bonds2

About gold(1+);2-phenylpropane-1,2-diol

gold(1+);2-phenylpropane-1,2-diol (PubChem CID 88672185) has the molecular formula C9H11AuO2 and a molecular weight of 348.15 g/mol. Its IUPAC name is gold(1+);2-phenylpropane-1,2-diol.

Molecular Properties

Compound Namegold(1+);2-phenylpropane-1,2-diol
PubChem CID88672185
Molecular FormulaC9H11AuO2
Molecular Weight348.15 g/mol
Exact Mass348.04
IUPAC Namegold(1+);2-phenylpropane-1,2-diol
SMILES[Au+].[CH2-]C(O)(CO)c1ccccc1
InChIInChI=1S/C9H11O2.Au/c1-9(11,7-10)8-5-3-2-4-6-8;/h2-6,10-11H,1,7H2;/q-1;+1
InChIKeyKIGHMYBKRCGAMG-UHFFFAOYSA-N
XLogP0.70
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.15
LogP ≤ 50.70
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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Related Compounds

1,1-diphenylpropane-1,2,2,3-tetrol
CID 54396902
2-chloro-2-phenylpropan-1-ol
CID 21408065
ethanol;hafnium;bis(2-methanidylpropan-2-ylbenzene)
CID 18688502
(1S)-1-(4-hydroxyphenyl)-1-phenylethane-1,2-diol
CID 174399635
1-methylsulfinyl-2-phenylpropan-2-ol
CID 15013398
hafnium;tris(2-methanidylpropan-2-ylbenzene);propan-1-ol
CID 18688482
diphenylmethanediol;dihydrochloride
CID 174953837
2,3-dibromo-2-phenylpropan-1-ol
CID 10424492
(2S,4R)-2,4-diphenylpentane-2,4-diol
CID 139037078
1,5-diphenylpentane-1,1-diol
CID 67670316
6-phenylheptane-1,6-diol
CID 11310303
1-phenylpropane-1,1-diol;tetrakis(hydroxymethyl)phosphanium
CID 174332580

Frequently Asked Questions

What is the IUPAC name of gold(1+);2-phenylpropane-1,2-diol?
The IUPAC name of gold(1+);2-phenylpropane-1,2-diol (CID 88672185) is gold(1+);2-phenylpropane-1,2-diol.
What is the SMILES notation for gold(1+);2-phenylpropane-1,2-diol?
The canonical SMILES for gold(1+);2-phenylpropane-1,2-diol is [Au+].[CH2-]C(O)(CO)c1ccccc1.
What is the InChIKey of gold(1+);2-phenylpropane-1,2-diol?
The InChIKey is KIGHMYBKRCGAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11O2.Au/c1-9(11,7-10)8-5-3-2-4-6-8;/h2-6,10-11H,1,7H2;/q-1;+1.
What are the key properties of gold(1+);2-phenylpropane-1,2-diol?
gold(1+);2-phenylpropane-1,2-diol has a molecular weight of 348.15 g/mol, XLogP of 0.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for gold(1+);2-phenylpropane-1,2-diol is sourced from PubChem (CID 88672185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).