2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one

C17H16ClNO2 — CID 129298800

IUPAC2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCCc1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21/h1-4,6,8-10,16,20H,5,7,11H2
InChIKeyZUAWRLLYUXHZSZ-UHFFFAOYSA-N
MW301.77 g/mol
LogP3.42
Rot. Bonds4

About 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one

2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one (PubChem CID 129298800) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one
PubChem CID129298800
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one
SMILESO=C1c2ccccc2C(O)N1CCCc1ccccc1Cl
InChIInChI=1S/C17H16ClNO2/c18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21/h1-4,6,8-10,16,20H,5,7,11H2
InChIKeyZUAWRLLYUXHZSZ-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-6-(1-hydroxy-3-oxo-1H-isoindol-2-yl)hex-2-enal
CID 171622818
2-[4-(4-benzylpiperazin-1-yl)butyl]-3-hydroxy-3H-isoindol-1-one
CID 123137184
3-hydroxy-2-(2-trimethylsilylethyl)-3H-isoindol-1-one
CID 10658286
(3R)-3-hydroxy-2-(2-pyrrolidin-1-ium-1-ylethyl)-3H-isoindol-1-one
CID 7315757
3-hydroxy-2-[(2-pyrrolidin-1-ylphenyl)methyl]-3H-isoindol-1-one
CID 101000438
2-[(4-ethylphenyl)methyl]-3-hydroxy-3H-isoindol-1-one
CID 143155464
3-hydroxy-2-(2-hydroxy-2-methylpropyl)-3H-isoindol-1-one
CID 143664494
3-hydroxy-2-(thiophen-2-ylmethyl)-3H-isoindol-1-one
CID 4616003
2-[(E)-but-2-enyl]-3-hydroxy-3H-isoindol-1-one
CID 121010627
6-chloro-2-[2-[3-[2-(6-chloro-1-hydroxy-3-oxo-1H-benzo[de]isoquinolin-2-yl)ethylamino]propylamino]ethyl]benzo[de]isoquinoline-1,3-dione
CID 146995038
cyclopentane;2-[4-cyclopentyl-5,5-bis(4-hydroxyphenyl)pent-4-enyl]-3-hydroxy-3H-isoindol-1-one;iron
CID 162301242
3-(4-bromophenyl)-2-[(2-chlorophenyl)methyl]-1-oxo-3,4-dihydroisoquinoline-4-carboxylic acid
CID 139972578

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one?
The IUPAC name of 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one (CID 129298800) is 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one.
What is the SMILES notation for 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one?
The canonical SMILES for 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one is O=C1c2ccccc2C(O)N1CCCc1ccccc1Cl.
What is the InChIKey of 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one?
The InChIKey is ZUAWRLLYUXHZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c18-15-10-4-1-6-12(15)7-5-11-19-16(20)13-8-2-3-9-14(13)17(19)21/h1-4,6,8-10,16,20H,5,7,11H2.
What are the key properties of 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one?
2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one has a molecular weight of 301.77 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)propyl]-3-hydroxy-3H-isoindol-1-one is sourced from PubChem (CID 129298800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).