methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate

C18H15NO3 — CID 139497293

IUPACmethyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-22-17(20)10-12-5-4-6-13(9-12)18(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3
InChIKeyMDEJWHHZOHBROA-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.11
Rot. Bonds4

About methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate

methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate (PubChem CID 139497293) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
PubChem CID139497293
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Namemethyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate
SMILESCOC(=O)Cc1cccc(C(=O)c2c[nH]c3ccccc23)c1
InChIInChI=1S/C18H15NO3/c1-22-17(20)10-12-5-4-6-13(9-12)18(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3
InChIKeyMDEJWHHZOHBROA-UHFFFAOYSA-N
XLogP3.11
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1H-indol-3-yl-(3-methoxy-4-methylphenyl)methanone
CID 43339248
(3-aminophenyl)-(1H-indol-3-yl)methanone
CID 19024726
methyl 4-(1H-indole-3-carbonyl)benzoate
CID 139561809
1H-indol-3-yl-[3-(phenoxazin-10-ylmethyl)phenyl]methanone
CID 19024790
1-(1H-indol-3-yl)-2-(3-methylphenyl)ethanone
CID 588980
methyl 2-(1H-indole-3-carbonylamino)acetate
CID 43406378
ethane;methyl 1H-indole-3-carboxylate
CID 143850313
2-(3-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339255
methyl 5-(1H-indole-3-carbonyl)pyridine-2-carboxylate
CID 139570456
methyl 2-[3-(2-bromoacetyl)phenyl]acetate
CID 19356183
1,3-benzodioxol-5-yl(1H-indol-3-yl)methanone
CID 43161266
methyl 6-(1H-indole-3-carbonyl)pyrimidine-4-carboxylate
CID 148584588

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate?
The IUPAC name of methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate (CID 139497293) is methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate.
What is the SMILES notation for methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate?
The canonical SMILES for methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate is COC(=O)Cc1cccc(C(=O)c2c[nH]c3ccccc23)c1.
What is the InChIKey of methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate?
The InChIKey is MDEJWHHZOHBROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-22-17(20)10-12-5-4-6-13(9-12)18(21)15-11-19-16-8-3-2-7-14(15)16/h2-9,11,19H,10H2,1H3.
What are the key properties of methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate?
methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate has a molecular weight of 293.32 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(1H-indole-3-carbonyl)phenyl]acetate is sourced from PubChem (CID 139497293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).