barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid

C10H14BaO4 — CID 173177553

IUPACbarium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(O)cc1)C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C10H12O4.Ba.2H/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;;;/h2-5,9,11H,6H2,1H3,(H,12,13);;;/q;+2;2*-1
InChIKeyMLVVOBOGNXMNBU-UHFFFAOYSA-N
MW335.55 g/mol
LogP0.88
Rot. Bonds4

About barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid

barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid (PubChem CID 173177553) has the molecular formula C10H14BaO4 and a molecular weight of 335.55 g/mol. Its IUPAC name is barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid.

Molecular Properties

Compound Namebarium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
PubChem CID173177553
Molecular FormulaC10H14BaO4
Molecular Weight335.55 g/mol
Exact Mass335.99
IUPAC Namebarium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
SMILESCOC(Cc1ccc(O)cc1)C(=O)O.[Ba+2].[H-].[H-]
InChIInChI=1S/C10H12O4.Ba.2H/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;;;/h2-5,9,11H,6H2,1H3,(H,12,13);;;/q;+2;2*-1
InChIKeyMLVVOBOGNXMNBU-UHFFFAOYSA-N
XLogP0.88
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.55
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
CID 87864790
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
CID 67008033
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 173177558
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
3-(4-hydroxy-3-methoxyphenyl)-2-methoxypropanoic acid
CID 18443662
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
(2S)-2-methoxy-3-[4-(trifluoromethylsulfonyloxy)phenyl]propanoic acid
CID 141062469
2-methoxy-3-[4-(propanoylamino)phenyl]propanoic acid
CID 155057390
3-(4-cyclopentyloxyphenyl)-2-methoxypropanoic acid;ethane;4-phenylphenol
CID 142194269

Frequently Asked Questions

What is the IUPAC name of barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The IUPAC name of barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid (CID 173177553) is barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid.
What is the SMILES notation for barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The canonical SMILES for barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid is COC(Cc1ccc(O)cc1)C(=O)O.[Ba+2].[H-].[H-].
What is the InChIKey of barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
The InChIKey is MLVVOBOGNXMNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O4.Ba.2H/c1-14-9(10(12)13)6-7-2-4-8(11)5-3-7;;;/h2-5,9,11H,6H2,1H3,(H,12,13);;;/q;+2;2*-1.
What are the key properties of barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid?
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid has a molecular weight of 335.55 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid is sourced from PubChem (CID 173177553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).