2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione

C17H15NO3 — CID 90079550

IUPAC2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(CCCO)c1
InChIInChI=1S/C17H15NO3/c19-10-4-6-12-5-3-7-13(11-12)18-16(20)14-8-1-2-9-15(14)17(18)21/h1-3,5,7-9,11,19H,4,6,10H2
InChIKeyCPVSQDIGUYWXRT-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.41
Rot. Bonds4

About 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione

2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione (PubChem CID 90079550) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
PubChem CID90079550
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1cccc(CCCO)c1
InChIInChI=1S/C17H15NO3/c19-10-4-6-12-5-3-7-13(11-12)18-16(20)14-8-1-2-9-15(14)17(18)21/h1-3,5,7-9,11,19H,4,6,10H2
InChIKeyCPVSQDIGUYWXRT-UHFFFAOYSA-N
XLogP2.41
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-hydroxyethyl(methyl)amino]methyl]phenyl]isoindole-1,3-dione
CID 168517893
2-[3-(hydroxymethyl)phenyl]benzo[de]isoquinoline-1,3-dione
CID 102469897
2-[3-[(3-methylphenyl)methyl]phenyl]isoindole-1,3-dione
CID 164982744
2-[3-(hydroxymethyl)phenyl]-5-methylisoindole-1,3-dione
CID 61207714
4-[3-(1,3-dioxoisoindol-2-yl)phenyl]benzoic acid
CID 168517547
1-[3-(3-hydroxypropyl)phenyl]-4-methylpiperazine-2,5-dione
CID 117410325
2-[3-(3-hydroxyprop-1-ynyl)phenyl]isoindole-1,3-dione
CID 60815166
2-[3-(aminomethyl)phenyl]-3-methylideneisoindol-1-one
CID 63254739
[3-(1,3-dioxoisoindol-2-yl)phenyl]boronic acid
CID 68786038
2-[3-[(2-chlorophenoxy)methyl]phenyl]isoindole-1,3-dione
CID 168518591
2-[3-[[3-(1,3-dioxoisoindol-2-yl)phenyl]disulfanyl]phenyl]isoindole-1,3-dione
CID 91745874
2-[3-[1,3-dioxo-5-(3-phenylpropanoyl)isoindol-2-yl]phenyl]-5-(3-phenylpropanoyl)isoindole-1,3-dione
CID 161175486

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione (CID 90079550) is 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1cccc(CCCO)c1.
What is the InChIKey of 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione?
The InChIKey is CPVSQDIGUYWXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-10-4-6-12-5-3-7-13(11-12)18-16(20)14-8-1-2-9-15(14)17(18)21/h1-3,5,7-9,11,19H,4,6,10H2.
What are the key properties of 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione?
2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-hydroxypropyl)phenyl]isoindole-1,3-dione is sourced from PubChem (CID 90079550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).