(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid

C12H14O5 — CID 11085823

IUPAC(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
SMILESCOC(=O)[C@@](C)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C12H14O5/c1-12(10(13)14,11(15)17-3)8-5-4-6-9(7-8)16-2/h4-7H,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyCMIIHXQILHAVNE-GFCCVEGCSA-N
MW238.24 g/mol
LogP1.21
Rot. Bonds4

About (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid

(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid (PubChem CID 11085823) has the molecular formula C12H14O5 and a molecular weight of 238.24 g/mol. Its IUPAC name is (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid.

Molecular Properties

Compound Name(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
PubChem CID11085823
Molecular FormulaC12H14O5
Molecular Weight238.24 g/mol
Exact Mass238.08
IUPAC Name(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid
SMILESCOC(=O)[C@@](C)(C(=O)O)c1cccc(OC)c1
InChIInChI=1S/C12H14O5/c1-12(10(13)14,11(15)17-3)8-5-4-6-9(7-8)16-2/h4-7H,1-3H3,(H,13,14)/t12-/m1/s1
InChIKeyCMIIHXQILHAVNE-GFCCVEGCSA-N
XLogP1.21
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenyl)-2-methylpropanedioic acid
CID 83536911
2-bromo-2-(3-methoxyphenyl)propanoic acid
CID 19795685
2-amino-2-(3-methoxyphenyl)propanoic acid
CID 4018837
methyl 2-hydrazinyl-2-(3-methoxyphenyl)propanoate;hydrochloride
CID 155757771
(2S)-2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 138393509
2-amino-2-(3-methoxyphenyl)-3-[(2-methylpropan-2-yl)oxy]-3-oxopropanoic acid
CID 129319861
2-ethyl-2-(3-methoxyphenyl)propanedioic acid
CID 165450739
2-ethoxy-2-(3-methoxyphenyl)propanoic acid
CID 114987500
methyl 2-(3-methoxyphenoxy)-2-methylpropanoate
CID 70830796
(2S,3S)-2,3-bis(3-methoxyphenyl)butane-2,3-diol
CID 101270093
2-(3-methoxyphenyl)propane-1,2,3-tricarboxylic acid
CID 170564927
3-butan-2-yloxy-2-methyl-3-oxo-2-(3-phenoxyphenyl)propanoic acid
CID 70528205

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid?
The IUPAC name of (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid (CID 11085823) is (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid.
What is the SMILES notation for (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid?
The canonical SMILES for (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid is COC(=O)[C@@](C)(C(=O)O)c1cccc(OC)c1.
What is the InChIKey of (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid?
The InChIKey is CMIIHXQILHAVNE-GFCCVEGCSA-N. The full InChI is InChI=1S/C12H14O5/c1-12(10(13)14,11(15)17-3)8-5-4-6-9(7-8)16-2/h4-7H,1-3H3,(H,13,14)/t12-/m1/s1.
What are the key properties of (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid?
(2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid has a molecular weight of 238.24 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methoxy-2-(3-methoxyphenyl)-2-methyl-3-oxopropanoic acid is sourced from PubChem (CID 11085823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).