cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate

C10H11CsO4 — CID 87864790

IUPACcesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
SMILESCOC(Cc1ccc(O)cc1)C(=O)[O-].[Cs+]
InChIInChI=1S/C10H12O4.Cs/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;+1/p-1
InChIKeyLMOLJESYZHJOAP-UHFFFAOYSA-M
MW328.10 g/mol
LogP-3.30
Rot. Bonds4

About cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate

cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate (PubChem CID 87864790) has the molecular formula C10H11CsO4 and a molecular weight of 328.10 g/mol. Its IUPAC name is cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate.

Molecular Properties

Compound Namecesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
PubChem CID87864790
Molecular FormulaC10H11CsO4
Molecular Weight328.10 g/mol
Exact Mass327.97
IUPAC Namecesium 3-(4-hydroxyphenyl)-2-methoxypropanoate
SMILESCOC(Cc1ccc(O)cc1)C(=O)[O-].[Cs+]
InChIInChI=1S/C10H12O4.Cs/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;+1/p-1
InChIKeyLMOLJESYZHJOAP-UHFFFAOYSA-M
XLogP-3.30
TPSA69.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.10
LogP ≤ 5-3.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
3-(4-hydroxyphenyl)-2-methoxypropanoic acid;N-methylmethanamine
CID 173177710
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
(2S)-3-(4-aminophenyl)-2-methoxypropanoic acid
CID 67008033
3-(4-hydroxyphenyl)-2-(4-phenylbutoxy)propanoate
CID 22557570
3-[[(2S)-2-amino-3-(4-hydroxyphenyl)propanoyl]amino]-2-methoxypropanoic acid
CID 106108909
dimethyl 2-[(4-hydroxyphenyl)methyl]propanedioate
CID 54350942
(2S)-2-azaniumyl-3-(4-hydroxyphenyl)propanoate;hydrogen peroxide
CID 139195737
tris((2S)-2-amino-3-(4-hydroxyphenyl)propanoate);gold(3+)
CID 173365455
methyl 2-amino-3-(4-hydroxyphenyl)propanoate
CID 144819630
methyl 3-(4-hydroxyphenyl)-2-(2-methoxy-2-oxoethoxy)propanoate
CID 11021883
(2R)-3-(4-hydroxyphenyl)-2-(4-propan-2-ylphenoxy)propanoic acid
CID 54214369

Frequently Asked Questions

What is the IUPAC name of cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate?
The IUPAC name of cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate (CID 87864790) is cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate.
What is the SMILES notation for cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate?
The canonical SMILES for cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate is COC(Cc1ccc(O)cc1)C(=O)[O-].[Cs+].
What is the InChIKey of cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate?
The InChIKey is LMOLJESYZHJOAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12O4.Cs/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;+1/p-1.
What are the key properties of cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate?
cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate has a molecular weight of 328.10 g/mol, XLogP of -3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 3-(4-hydroxyphenyl)-2-methoxypropanoate is sourced from PubChem (CID 87864790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).