3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

C17H14BrNO3 — CID 46360612

IUPAC3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)C2(O)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H14BrNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyUXRBCTXUVZESEP-UHFFFAOYSA-N
MW360.21 g/mol
LogP3.17
Rot. Bonds3

About 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one

3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 46360612) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID46360612
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cccc2c1NC(=O)C2(O)CC(=O)c1ccccc1Br
InChIInChI=1S/C17H14BrNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21)
InChIKeyUXRBCTXUVZESEP-UHFFFAOYSA-N
XLogP3.17
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-[2-(2-fluorophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 124886760
3-[2-(2-bromophenyl)-2-oxoethyl]-5-chloro-3-hydroxy-1H-indol-2-one
CID 46360603
(3R)-3-hydroxy-7-methyl-3-[2-oxo-2-(4-propan-2-ylphenyl)ethyl]-1H-indol-2-one
CID 796109
3-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 46360616
(3R)-7-chloro-3-hydroxy-3-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-indol-2-one
CID 39315528
(3S)-3-hydroxy-7-methyl-3-[2-(3-nitrophenyl)-2-oxoethyl]-1H-indol-2-one
CID 92502313
(3R)-3-[2-(2-chlorophenyl)-2-oxoethyl]-3-hydroxy-1H-indol-2-one
CID 1425587
(3S)-3-hydroxy-3-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]-1H-indol-2-one
CID 696392
(3R)-3-[2-(4-bromophenyl)-2-oxoethyl]-7-ethyl-3-hydroxy-1H-indol-2-one
CID 1287153
5-bromo-3-[2-(furan-2-yl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one
CID 2961237
2-(7-ethyl-3-hydroxy-2-oxo-1H-indol-3-yl)acetic acid
CID 84628063
2-bromo-N-[1-(3-hydroxy-2-oxo-1H-indol-3-yl)propan-2-ylideneamino]benzamide
CID 3098514

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one (CID 46360612) is 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is Cc1cccc2c1NC(=O)C2(O)CC(=O)c1ccccc1Br.
What is the InChIKey of 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is UXRBCTXUVZESEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrNO3/c1-10-5-4-7-12-15(10)19-16(21)17(12,22)9-14(20)11-6-2-3-8-13(11)18/h2-8,22H,9H2,1H3,(H,19,21).
What are the key properties of 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one?
3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 360.21 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-bromophenyl)-2-oxoethyl]-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 46360612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).