barium(2+);2,2-diphenylacetic acid;hydride

C14H14BaO2 — CID 174636718

IUPACbarium(2+);2,2-diphenylacetic acid;hydride
SMILESO=C(O)C(c1ccccc1)c1ccccc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C14H12O2.Ba.2H/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H,(H,15,16);;;/q;+2;2*-1
InChIKeyOTGROLGZMPFOHM-UHFFFAOYSA-N
MW351.59 g/mol
LogP2.75
Rot. Bonds3

About barium(2+);2,2-diphenylacetic acid;hydride

barium(2+);2,2-diphenylacetic acid;hydride (PubChem CID 174636718) has the molecular formula C14H14BaO2 and a molecular weight of 351.59 g/mol. Its IUPAC name is barium(2+);2,2-diphenylacetic acid;hydride.

Molecular Properties

Compound Namebarium(2+);2,2-diphenylacetic acid;hydride
PubChem CID174636718
Molecular FormulaC14H14BaO2
Molecular Weight351.59 g/mol
Exact Mass352.00
IUPAC Namebarium(2+);2,2-diphenylacetic acid;hydride
SMILESO=C(O)C(c1ccccc1)c1ccccc1.[Ba+2].[H-].[H-]
InChIInChI=1S/C14H12O2.Ba.2H/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H,(H,15,16);;;/q;+2;2*-1
InChIKeyOTGROLGZMPFOHM-UHFFFAOYSA-N
XLogP2.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.59
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze barium(2+);2,2-diphenylacetic acid;hydride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

lithium;2,2-diphenylacetic acid;hydride
CID 174648923
benzene-1,2-diol;2,2-diphenylacetic acid
CID 70395054
(2R)-2-phenyl-2-(4-phenylphenyl)acetic acid
CID 38989084
(2R)-2-(4-chlorophenyl)-2-phenylacetic acid
CID 7009399
2-(4-fluorophenyl)-2-phenylacetic acid
CID 3687814
acridine;2,2-diphenylacetic acid
CID 139120811
barium(2+);hydride;2-hydroxy-2-phenylacetic acid
CID 172999796
2,2-diphenylacetic acid;3-prop-2-enoxyprop-1-ene
CID 174460969
calcium;hydride;2-phenylpropanedioic acid
CID 174516330
magnesium;hydride;2-hydroxy-2-phenylacetic acid
CID 173047691
chloranium 2,2-diphenylacetate
CID 162326731
1,1,5,5-tetraphenylpentane-2,4-dione
CID 22951899

Frequently Asked Questions

What is the IUPAC name of barium(2+);2,2-diphenylacetic acid;hydride?
The IUPAC name of barium(2+);2,2-diphenylacetic acid;hydride (CID 174636718) is barium(2+);2,2-diphenylacetic acid;hydride.
What is the SMILES notation for barium(2+);2,2-diphenylacetic acid;hydride?
The canonical SMILES for barium(2+);2,2-diphenylacetic acid;hydride is O=C(O)C(c1ccccc1)c1ccccc1.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);2,2-diphenylacetic acid;hydride?
The InChIKey is OTGROLGZMPFOHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O2.Ba.2H/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12;;;/h1-10,13H,(H,15,16);;;/q;+2;2*-1.
What are the key properties of barium(2+);2,2-diphenylacetic acid;hydride?
barium(2+);2,2-diphenylacetic acid;hydride has a molecular weight of 351.59 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);2,2-diphenylacetic acid;hydride is sourced from PubChem (CID 174636718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).