6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one

C14H10BrNO3 — CID 5135025

IUPAC6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1(O)c1ccccc1O
InChIInChI=1S/C14H10BrNO3/c15-8-5-6-9-11(7-8)16-13(18)14(9,19)10-3-1-2-4-12(10)17/h1-7,17,19H,(H,16,18)
InChIKeyWLDGKMDRSCCBRJ-UHFFFAOYSA-N
MW320.14 g/mol
LogP2.34
Rot. Bonds1

About 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one

6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one (PubChem CID 5135025) has the molecular formula C14H10BrNO3 and a molecular weight of 320.14 g/mol. Its IUPAC name is 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one.

Molecular Properties

Compound Name6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
PubChem CID5135025
Molecular FormulaC14H10BrNO3
Molecular Weight320.14 g/mol
Exact Mass318.98
IUPAC Name6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
SMILESO=C1Nc2cc(Br)ccc2C1(O)c1ccccc1O
InChIInChI=1S/C14H10BrNO3/c15-8-5-6-9-11(7-8)16-13(18)14(9,19)10-3-1-2-4-12(10)17/h1-7,17,19H,(H,16,18)
InChIKeyWLDGKMDRSCCBRJ-UHFFFAOYSA-N
XLogP2.34
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.14
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-hydroxy-3-(2-methoxyphenyl)-1,3-dihydro-2H-indol-2-one
CID 5297651
5-bromo-3-hydroxy-3-phenyl-1,3-dihydro-2H-indol-2-one
CID 4256987
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
(+)-(S)-2-(3,4-dihydroxy-2-oxoindolin-3-yl)acetonitrile
CID 60156057
6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1,3-dihydro-2H-indol-2-one
CID 3794855
Bromoanaindolone
CID 124428811
3-(5-fluoro-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 10892772
3-hydroxy-3-[2-hydroxy-4-(trifluoromethyl)phenyl]-6-(trifluoromethyl)-1H-indol-2-one
CID 10915801
3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
CID 10945690
3-(5-bromo-2-hydroxyphenyl)-3-hydroxy-6-(trifluoromethyl)-1H-indol-2-one
CID 11058180

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one?
The IUPAC name of 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one (CID 5135025) is 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one.
What is the SMILES notation for 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one?
The canonical SMILES for 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one is O=C1Nc2cc(Br)ccc2C1(O)c1ccccc1O.
What is the InChIKey of 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one?
The InChIKey is WLDGKMDRSCCBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO3/c15-8-5-6-9-11(7-8)16-13(18)14(9,19)10-3-1-2-4-12(10)17/h1-7,17,19H,(H,16,18).
What are the key properties of 6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one?
6-bromo-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one has a molecular weight of 320.14 g/mol, XLogP of 2.34, 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-hydroxyphenyl)-1H-indol-2-one is sourced from PubChem (CID 5135025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).