(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one

C14H9BrClNO3 — CID 7353938

IUPAC(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@]1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9BrClNO3/c15-7-1-3-11-9(5-7)14(20,13(19)17-11)10-6-8(16)2-4-12(10)18/h1-6,18,20H,(H,17,19)/t14-/m1/s1
InChIKeyRZXHFTMOOBXYGD-CQSZACIVSA-N
MW354.59 g/mol
LogP3.00
Rot. Bonds1

About (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one

(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one (PubChem CID 7353938) has the molecular formula C14H9BrClNO3 and a molecular weight of 354.59 g/mol. Its IUPAC name is (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
PubChem CID7353938
Molecular FormulaC14H9BrClNO3
Molecular Weight354.59 g/mol
Exact Mass352.95
IUPAC Name(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one
SMILESO=C1Nc2ccc(Br)cc2[C@@]1(O)c1cc(Cl)ccc1O
InChIInChI=1S/C14H9BrClNO3/c15-7-1-3-11-9(5-7)14(20,13(19)17-11)10-6-8(16)2-4-12(10)18/h1-6,18,20H,(H,17,19)/t14-/m1/s1
InChIKeyRZXHFTMOOBXYGD-CQSZACIVSA-N
XLogP3.00
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.59
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-6-iodo-1H-indol-2-one
CID 10294489
5-chloro-3-(5-chloro-2-methoxyphenyl)-3-hydroxy-1H-indol-2-one
CID 67428748
3-(5-bromo-2-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 83037208
5-chloro-3-(2-chloro-4-fluorophenyl)-3-hydroxy-1H-indol-2-one
CID 18753035
(3S)-5-bromo-3-hydroxy-3-(1H-pyrrol-2-yl)-1H-indol-2-one
CID 125477104
6-bromo-3-hydroxy-3-(2-hydroxy-4,5-dimethylphenyl)-1H-indol-2-one
CID 3794855
5-chloro-3-ethyl-3-hydroxy-1H-indol-2-one
CID 159617645
5-chloro-3-hydroxy-3-(3-methoxyphenyl)-1H-indol-2-one
CID 22560825
(3R)-3-hydroxy-3-(2-hydroxyphenyl)-1H-indol-2-one
CID 7102076
5-chloro-3-hydroxy-3-(2-methoxy-6-methylphenyl)-1H-indol-2-one
CID 22560921
(3S)-5-bromo-3-hydroxy-3-(2-oxopropyl)-1H-indol-2-one
CID 752249
(3S)-3-amino-5-chloro-3-(hydroxymethyl)-1H-indol-2-one
CID 130804081

Frequently Asked Questions

What is the IUPAC name of (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The IUPAC name of (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one (CID 7353938) is (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one.
What is the SMILES notation for (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The canonical SMILES for (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one is O=C1Nc2ccc(Br)cc2[C@@]1(O)c1cc(Cl)ccc1O.
What is the InChIKey of (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
The InChIKey is RZXHFTMOOBXYGD-CQSZACIVSA-N. The full InChI is InChI=1S/C14H9BrClNO3/c15-7-1-3-11-9(5-7)14(20,13(19)17-11)10-6-8(16)2-4-12(10)18/h1-6,18,20H,(H,17,19)/t14-/m1/s1.
What are the key properties of (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one?
(3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one has a molecular weight of 354.59 g/mol, XLogP of 3.00, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-bromo-3-(5-chloro-2-hydroxyphenyl)-3-hydroxy-1H-indol-2-one is sourced from PubChem (CID 7353938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).