3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one

C14H10ClNO2 — CID 11777357

IUPAC3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one
SMILESO=C1NC(O)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14(18)12-4-2-1-3-11(12)13(17)16-14/h1-8,18H,(H,16,17)
InChIKeyIVITWRDKZBYCCW-UHFFFAOYSA-N
MW259.69 g/mol
LogP2.28
Rot. Bonds1

About 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one (PubChem CID 11777357) has the molecular formula C14H10ClNO2 and a molecular weight of 259.69 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one
PubChem CID11777357
Molecular FormulaC14H10ClNO2
Molecular Weight259.69 g/mol
Exact Mass259.04
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one
SMILESO=C1NC(O)(c2ccc(Cl)cc2)c2ccccc21
InChIInChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14(18)12-4-2-1-3-11(12)13(17)16-14/h1-8,18H,(H,16,17)
InChIKeyIVITWRDKZBYCCW-UHFFFAOYSA-N
XLogP2.28
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one (CID 11777357) is 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one is O=C1NC(O)(c2ccc(Cl)cc2)c2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one?
The InChIKey is IVITWRDKZBYCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNO2/c15-10-7-5-9(6-8-10)14(18)12-4-2-1-3-11(12)13(17)16-14/h1-8,18H,(H,16,17).
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one has a molecular weight of 259.69 g/mol, XLogP of 2.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2H-isoindol-1-one is sourced from PubChem (CID 11777357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).