5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one

C14H10BrNO2 — CID 71427499

IUPAC5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1c1ccc(O)cc1
InChIInChI=1S/C14H10BrNO2/c15-10-1-6-13-9(7-10)8-16(14(13)18)11-2-4-12(17)5-3-11/h1-7,17H,8H2
InChIKeyCNQGGRRNOXTQPO-UHFFFAOYSA-N
MW304.14 g/mol
LogP3.32
Rot. Bonds1

About 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one

5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one (PubChem CID 71427499) has the molecular formula C14H10BrNO2 and a molecular weight of 304.14 g/mol. Its IUPAC name is 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one
PubChem CID71427499
Molecular FormulaC14H10BrNO2
Molecular Weight304.14 g/mol
Exact Mass302.99
IUPAC Name5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one
SMILESO=C1c2ccc(Br)cc2CN1c1ccc(O)cc1
InChIInChI=1S/C14H10BrNO2/c15-10-1-6-13-9(7-10)8-16(14(13)18)11-2-4-12(17)5-3-11/h1-7,17H,8H2
InChIKeyCNQGGRRNOXTQPO-UHFFFAOYSA-N
XLogP3.32
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.14
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one?
The IUPAC name of 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one (CID 71427499) is 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one.
What is the SMILES notation for 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one?
The canonical SMILES for 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one is O=C1c2ccc(Br)cc2CN1c1ccc(O)cc1.
What is the InChIKey of 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one?
The InChIKey is CNQGGRRNOXTQPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrNO2/c15-10-1-6-13-9(7-10)8-16(14(13)18)11-2-4-12(17)5-3-11/h1-7,17H,8H2.
What are the key properties of 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one?
5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one has a molecular weight of 304.14 g/mol, XLogP of 3.32, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-hydroxyphenyl)-3H-isoindol-1-one is sourced from PubChem (CID 71427499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).