6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one

C16H14BrNO3 — CID 3794855

IUPAC6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
SMILESCc1cc(O)c(C2(O)C(=O)Nc3cc(Br)ccc32)cc1C
InChIInChI=1S/C16H14BrNO3/c1-8-5-12(14(19)6-9(8)2)16(21)11-4-3-10(17)7-13(11)18-15(16)20/h3-7,19,21H,1-2H3,(H,18,20)
InChIKeyPRUMRORLNVGOFZ-UHFFFAOYSA-N
MW348.20 g/mol
LogP2.96
Rot. Bonds1

About 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one

6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one (PubChem CID 3794855) has the molecular formula C16H14BrNO3 and a molecular weight of 348.20 g/mol. Its IUPAC name is 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
PubChem CID3794855
Molecular FormulaC16H14BrNO3
Molecular Weight348.20 g/mol
Exact Mass347.02
IUPAC Name6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
SMILESCc1cc(O)c(C2(O)C(=O)Nc3cc(Br)ccc32)cc1C
InChIInChI=1S/C16H14BrNO3/c1-8-5-12(14(19)6-9(8)2)16(21)11-4-3-10(17)7-13(11)18-15(16)20/h3-7,19,21H,1-2H3,(H,18,20)
InChIKeyPRUMRORLNVGOFZ-UHFFFAOYSA-N
XLogP2.96
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.20
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-3-hydroxy-3-(2-hydroxy-4-isopropylphenyl)-1,3-dihydro-2H-indol-2-one
CID 3813972
3-hydroxy-3-(2-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 3427196
3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1,3-dihydro-2H-indol-2-one
CID 3778448
6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5135025
3-hydroxy-3-[2-hydroxy-5-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
CID 10177586
3-hydroxy-3-[2-hydroxy-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
CID 10915801
3-hydroxy-3-(2-hydroxynaphthalen-1-yl)-6-(trifluoromethyl)-1H-indol-2-one
CID 10981232
3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11058180
3-hydroxy-3-(2-hydroxy-5-phenylphenyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 44283895
3-hydroxy-3-(2-hydroxy-5-methylphenyl)-6-(trifluoromethyl)-1H-indol-2-one
CID 44283896
5-fluoro-3-hydroxy-3-(2-hydroxy-4-isopropylphenyl)-6-methyl-1,3-dihydro-2H-indol-2-one
CID 3711917
3-(5-bromo-2-hydroxyphenyl)-5-fluoro-3-hydroxy-1,3-dihydro-2H-indol-2-one
CID 5304781

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one (CID 3794855) is 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The canonical SMILES for 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one is Cc1cc(O)c(C2(O)C(=O)Nc3cc(Br)ccc32)cc1C.
What is the InChIKey of 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
The InChIKey is PRUMRORLNVGOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrNO3/c1-8-5-12(14(19)6-9(8)2)16(21)11-4-3-10(17)7-13(11)18-15(16)20/h3-7,19,21H,1-2H3,(H,18,20).
What are the key properties of 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one?
6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one has a molecular weight of 348.20 g/mol, XLogP of 2.96, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one is sourced from PubChem (CID 3794855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).