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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Related Compounds

3-Hydroxy-1-methyl-3-(2-oxo-cycloheptyl)-1,3-dihydro-indol-2-one
CID 3127024
1-methyl-2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl acetate
CID 3132850
ethyl {3-hydroxy-3-[2-(3-methoxyphenyl)-2-oxoethyl]-2-oxo-2,3-dihydro-1H-indol-1-yl}acetate
CID 667132
3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1,3-dihydro-2H-indol-2-one
CID 3242879
3-hydroxy-5-methyl-3-[(3E,5E)-2-oxo-6-phenylhexa-3,5-dienyl]-1H-indol-2-one
CID 5734070
3-hydroxy-3-[2-(2-hydroxyphenyl)-2-oxoethyl]-1-(2-phenylethyl)-1,3-dihydro-2H-indol-2-one
CID 3147814
3-Hydroxy-3-phenacyloxindole
CID 99051
1-Benzyl-3-hydroxy-3-phenyl-1,3-dihydro-indol-2-one
CID 11141594
3-Hydroxy-3-phenacyl-1-prop-2-enylindol-2-one
CID 651977
ethyl {3-hydroxy-2-oxo-3-[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2,3-dihydro-1H-indol-1-yl}acetate
CID 2898051
3-[2-(4-Aminophenyl)-2-oxoethyl]-3-hydroxy-1-prop-2-enylindol-2-one
CID 2925029
1-allyl-3-[2-(4-chlorophenyl)-2-oxoethyl]-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 2925037

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).