3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one

C17H16ClNO2 — CID 51349561

IUPAC3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-11-19-16(20)14-5-3-4-6-15(14)17(19,21)12-7-9-13(18)10-8-12/h3-10,21H,2,11H2,1H3
InChIKeyMIDWSIDODUTCGG-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.40
Rot. Bonds3

About 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one

3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one (PubChem CID 51349561) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one
PubChem CID51349561
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one
SMILESCCCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1
InChIInChI=1S/C17H16ClNO2/c1-2-11-19-16(20)14-5-3-4-6-15(14)17(19,21)12-7-9-13(18)10-8-12/h3-10,21H,2,11H2,1H3
InChIKeyMIDWSIDODUTCGG-UHFFFAOYSA-N
XLogP3.40
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one?
The IUPAC name of 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one (CID 51349561) is 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one is CCCN1C(=O)c2ccccc2C1(O)c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one?
The InChIKey is MIDWSIDODUTCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-11-19-16(20)14-5-3-4-6-15(14)17(19,21)12-7-9-13(18)10-8-12/h3-10,21H,2,11H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one?
3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one has a molecular weight of 301.77 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-3-hydroxy-2-propylisoindol-1-one is sourced from PubChem (CID 51349561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).