7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one

C11H12ClNO2 — CID 123654395

IUPAC7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one
SMILESCC(O)CN1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C11H12ClNO2/c1-7(14)5-13-6-8-3-2-4-9(12)10(8)11(13)15/h2-4,7,14H,5-6H2,1H3
InChIKeyKRMXGHOULHXNRQ-UHFFFAOYSA-N
MW225.68 g/mol
LogP1.68
Rot. Bonds2

About 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one

7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one (PubChem CID 123654395) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one
PubChem CID123654395
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Name7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one
SMILESCC(O)CN1Cc2cccc(Cl)c2C1=O
InChIInChI=1S/C11H12ClNO2/c1-7(14)5-13-6-8-3-2-4-9(12)10(8)11(13)15/h2-4,7,14H,5-6H2,1H3
InChIKeyKRMXGHOULHXNRQ-UHFFFAOYSA-N
XLogP1.68
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one (CID 123654395) is 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one is CC(O)CN1Cc2cccc(Cl)c2C1=O.
What is the InChIKey of 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one?
The InChIKey is KRMXGHOULHXNRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-7(14)5-13-6-8-3-2-4-9(12)10(8)11(13)15/h2-4,7,14H,5-6H2,1H3.
What are the key properties of 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one?
7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one has a molecular weight of 225.68 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(2-hydroxypropyl)-3H-isoindol-1-one is sourced from PubChem (CID 123654395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).