strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid

C17H20O4Sr — CID 173177558

IUPACstrontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C17H18O4.Sr.2H/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;;;/h2-10,16H,11-12H2,1H3,(H,18,19);;;/q;+2;2*-1
InChIKeyBJKJVHUXDBEBGA-UHFFFAOYSA-N
MW375.96 g/mol
LogP2.75
Rot. Bonds7

About strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid

strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid (PubChem CID 173177558) has the molecular formula C17H20O4Sr and a molecular weight of 375.96 g/mol. Its IUPAC name is strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid.

Molecular Properties

Compound Namestrontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
PubChem CID173177558
Molecular FormulaC17H20O4Sr
Molecular Weight375.96 g/mol
Exact Mass376.04
IUPAC Namestrontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid
SMILESCOC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.[H-].[H-].[Sr+2]
InChIInChI=1S/C17H18O4.Sr.2H/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;;;/h2-10,16H,11-12H2,1H3,(H,18,19);;;/q;+2;2*-1
InChIKeyBJKJVHUXDBEBGA-UHFFFAOYSA-N
XLogP2.75
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.96
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-2-phenylmethoxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 122390059
2-acetyloxy-3-(4-phenylmethoxyphenyl)propanoic acid
CID 69398659
(2R)-2-methoxy-3-phenylpropanoic acid
CID 72942339
3-(4-phenylmethoxyphenyl)-2-propoxypropanoic acid
CID 18443572
(2S)-3-[4-(carboxymethoxy)phenyl]-2-methoxypropanoic acid
CID 141080172
2-methoxy-3-[4-[3-(4-phenoxyphenoxy)propoxy]phenyl]propanoic acid
CID 3025998
2-methoxy-3-[4-[4-(4-phenylphenoxy)butoxy]phenyl]propanoic acid
CID 18443550
(3S)-3-phenylmethoxy-4-(4-phenylmethoxyphenyl)butan-2-one
CID 46185770
(2S)-3-[4-(2-hydroxyethoxy)phenyl]-2-methoxypropanoic acid
CID 69421095
barium(2+);hydride;3-(4-hydroxyphenyl)-2-methoxypropanoic acid
CID 173177553
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427

Frequently Asked Questions

What is the IUPAC name of strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The IUPAC name of strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid (CID 173177558) is strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid.
What is the SMILES notation for strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The canonical SMILES for strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid is COC(Cc1ccc(OCc2ccccc2)cc1)C(=O)O.[H-].[H-].[Sr+2].
What is the InChIKey of strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
The InChIKey is BJKJVHUXDBEBGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O4.Sr.2H/c1-20-16(17(18)19)11-13-7-9-15(10-8-13)21-12-14-5-3-2-4-6-14;;;/h2-10,16H,11-12H2,1H3,(H,18,19);;;/q;+2;2*-1.
What are the key properties of strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid?
strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid has a molecular weight of 375.96 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for strontium;hydride;2-methoxy-3-(4-phenylmethoxyphenyl)propanoic acid is sourced from PubChem (CID 173177558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).