2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione

C17H15NO3 — CID 58707349

IUPAC2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-13-9-7-12(8-10-13)4-3-11-18-16(20)14-5-1-2-6-15(14)17(18)21/h1-2,5-10,19H,3-4,11H2
InChIKeyWKWONYIDNPMTPD-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.62
Rot. Bonds4

About 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione

2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione (PubChem CID 58707349) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
PubChem CID58707349
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCc1ccc(O)cc1
InChIInChI=1S/C17H15NO3/c19-13-9-7-12(8-10-13)4-3-11-18-16(20)14-5-1-2-6-15(14)17(18)21/h1-2,5-10,19H,3-4,11H2
InChIKeyWKWONYIDNPMTPD-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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-(4-phenylbutyl)isoindole-1,3-dione
CID 10468831
2-[3-[4-(2-bromoacetyl)phenyl]propyl]isoindole-1,3-dione
CID 88955130
CID 171374663
CID 171374663
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
2-[6-(4-bromophenyl)hexyl]isoindole-1,3-dione
CID 68789192
2-[3-[4-(3-hydroxypropyl)phenoxy]propyl]isoindole-1,3-dione
CID 11515611
4-amino-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 19363369
5-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 61017162
2-[3-[3,4-bis(phenylmethoxy)phenyl]propyl]isoindole-1,3-dione
CID 57409671
3-(1,3-dioxoisoindol-2-yl)propyl 4-hydroxybenzoate
CID 31980780
4-bromo-2-[2-(4-hydroxyphenyl)ethyl]isoindole-1,3-dione
CID 175366961
2-[2-(4-sulfanylphenyl)ethyl]isoindole-1,3-dione
CID 53469378

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione (CID 58707349) is 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCc1ccc(O)cc1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione?
The InChIKey is WKWONYIDNPMTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-13-9-7-12(8-10-13)4-3-11-18-16(20)14-5-1-2-6-15(14)17(18)21/h1-2,5-10,19H,3-4,11H2.
What are the key properties of 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione?
2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione has a molecular weight of 281.31 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 58707349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).