methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate

C12H13NO5 — CID 117380531

IUPACmethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2
InChIInChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14)
InChIKeyHHLPQNBITCITBQ-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.40
Rot. Bonds3

About methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate

methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate (PubChem CID 117380531) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate.

Molecular Properties

Compound Namemethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
PubChem CID117380531
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Namemethyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate
SMILESCOC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2
InChIInChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14)
InChIKeyHHLPQNBITCITBQ-UHFFFAOYSA-N
XLogP0.40
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-(3-chloro-2,5-dimethoxyphenyl)-2-hydroxyacetate
CID 117406054
5-[hydroxy-(4-methoxyphenyl)methyl]-6,7-dimethyl-1,3-dihydroindol-2-one
CID 82173078
7-fluoro-5-[hydroxy-(4-methoxyphenyl)methyl]-1,3-dihydroindol-2-one
CID 82173545
5-methoxy-1,3-dihydroindol-2-one;2,2,2-trichloroethane-1,1-diol
CID 158837669
7-(1-hydroxy-2,2-dimethylpropyl)-5-methyl-1,3-dihydroindol-2-one
CID 82172426
methyl 2-hydroxy-2-(5-methoxy-2-piperidin-1-ylphenyl)acetate
CID 117447811
methyl 2,3-dihydroxy-3-(2-oxo-1,3-dihydroindol-5-yl)propanoate
CID 171864289
methyl 2-hydroxy-2-(3-methoxy-5-propan-2-ylphenyl)acetate
CID 117349068
5-methoxy-6,7-dimethyl-1,3-dihydroindol-2-one
CID 22238086
7-fluoro-5-propan-2-yloxy-1,3-dihydroindol-2-one
CID 71144685
1-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-dihydroindol-5-yl)urea
CID 30375542
3-amino-2-(5-chloro-2-oxo-1,3-dihydroindol-7-yl)propanoic acid
CID 115003616

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The IUPAC name of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate (CID 117380531) is methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate.
What is the SMILES notation for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The canonical SMILES for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate is COC(=O)C(O)c1cc(OC)cc2c1NC(=O)C2.
What is the InChIKey of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
The InChIKey is HHLPQNBITCITBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO5/c1-17-7-3-6-4-9(14)13-10(6)8(5-7)11(15)12(16)18-2/h3,5,11,15H,4H2,1-2H3,(H,13,14).
What are the key properties of methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate?
methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate has a molecular weight of 251.24 g/mol, XLogP of 0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-2-(5-methoxy-2-oxo-1,3-dihydroindol-7-yl)acetate is sourced from PubChem (CID 117380531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).