methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate

C19H17NO5 — CID 2924675

IUPACmethyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H17NO5/c1-25-17(22)12-20-15-10-6-5-9-14(15)19(24,18(20)23)11-16(21)13-7-3-2-4-8-13/h2-10,24H,11-12H2,1H3
InChIKeyRTMJVNSISYGNLJ-UHFFFAOYSA-N
MW339.35 g/mol
LogP1.67
Rot. Bonds5

About methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate

methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate (PubChem CID 2924675) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate
PubChem CID2924675
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Namemethyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate
SMILESCOC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21
InChIInChI=1S/C19H17NO5/c1-25-17(22)12-20-15-10-6-5-9-14(15)19(24,18(20)23)11-16(21)13-7-3-2-4-8-13/h2-10,24H,11-12H2,1H3
InChIKeyRTMJVNSISYGNLJ-UHFFFAOYSA-N
XLogP1.67
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate?
The IUPAC name of methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate (CID 2924675) is methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate.
What is the SMILES notation for methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate?
The canonical SMILES for methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate is COC(=O)CN1C(=O)C(O)(CC(=O)c2ccccc2)c2ccccc21.
What is the InChIKey of methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate?
The InChIKey is RTMJVNSISYGNLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-25-17(22)12-20-15-10-6-5-9-14(15)19(24,18(20)23)11-16(21)13-7-3-2-4-8-13/h2-10,24H,11-12H2,1H3.
What are the key properties of methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate?
methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate has a molecular weight of 339.35 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-hydroxy-2-oxo-3-phenacylindol-1-yl)acetate is sourced from PubChem (CID 2924675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).