sodium diphenylmethanolate

C13H11NaO — CID 22420719

IUPACsodium diphenylmethanolate
SMILES[Na+].[O-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;/q-1;+1
InChIKeyVVZNBNMGXZOZPB-UHFFFAOYSA-N
MW206.22 g/mol
LogP-0.86
Rot. Bonds2

About sodium diphenylmethanolate

sodium diphenylmethanolate (PubChem CID 22420719) has the molecular formula C13H11NaO and a molecular weight of 206.22 g/mol. Its IUPAC name is sodium diphenylmethanolate.

Molecular Properties

Compound Namesodium diphenylmethanolate
PubChem CID22420719
Molecular FormulaC13H11NaO
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Namesodium diphenylmethanolate
SMILES[Na+].[O-]C(c1ccccc1)c1ccccc1
InChIInChI=1S/C13H11O.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;/q-1;+1
InChIKeyVVZNBNMGXZOZPB-UHFFFAOYSA-N
XLogP-0.86
TPSA23.06 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 5-0.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

diphenylmethanolate
CID 57466266
disodium;tetrakis(N-[bis(dimethylamino)phosphoryl]-N-methylmethanamine);bis(diphenylmethanolate)
CID 135049981
sodium 1-phenylbutan-1-olate
CID 70503341
potassium 1-phenylbutan-1-olate
CID 70503284
hydroperoxy(phenyl)methanolate
CID 21359346
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine
CID 23620364
2-(2-amino-1-phenylethyl)sulfanyl-2-phenylethanamine;hydrochloride
CID 23620363
butane;1-phenylethane-1,2-diolate;tin(2+)
CID 171375655
CID 140568629
CID 140568629
lithium benzhydrylbenzene
CID 18381038
azane;benzhydrylbenzene
CID 70581647
sodium 2,2-diphenylethanethioate
CID 88787472

Frequently Asked Questions

What is the IUPAC name of sodium diphenylmethanolate?
The IUPAC name of sodium diphenylmethanolate (CID 22420719) is sodium diphenylmethanolate.
What is the SMILES notation for sodium diphenylmethanolate?
The canonical SMILES for sodium diphenylmethanolate is [Na+].[O-]C(c1ccccc1)c1ccccc1.
What is the InChIKey of sodium diphenylmethanolate?
The InChIKey is VVZNBNMGXZOZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11O.Na/c14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;/h1-10,13H;/q-1;+1.
What are the key properties of sodium diphenylmethanolate?
sodium diphenylmethanolate has a molecular weight of 206.22 g/mol, XLogP of -0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sodium diphenylmethanolate is sourced from PubChem (CID 22420719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).