2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione

C20H19NO4 — CID 2916180

IUPAC2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO4/c1-2-7-14-8-3-6-11-18(14)25-13-15(22)12-21-19(23)16-9-4-5-10-17(16)20(21)24/h2-6,8-11,15,22H,1,7,12-13H2
InChIKeyFXWPWOBBSJXBIX-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.45
Rot. Bonds7

About 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione

2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione (PubChem CID 2916180) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
PubChem CID2916180
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione
SMILESC=CCc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C20H19NO4/c1-2-7-14-8-3-6-11-18(14)25-13-15(22)12-21-19(23)16-9-4-5-10-17(16)20(21)24/h2-6,8-11,15,22H,1,7,12-13H2
InChIKeyFXWPWOBBSJXBIX-UHFFFAOYSA-N
XLogP2.45
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Way 120491
CID 130292
2-[3-(4-Chlorophenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 292786
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136
2-[2-(4-fluorophenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 2230352
2-{2-[1-(2,3-Dihydro-benzo[1,4]dioxin-2-ylmethyl)-piperidin-4-yl]-ethyl}-2,3-dihydro-isoindol-1-one
CID 10548552
2-ethoxyphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 734115
3-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)-N-(2-methoxybenzyl)propanamide
CID 757368
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2,5-dimethylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 2193449
2-[2-(1,3-Dioxoisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 2991897
2-[3-Hydroxy-1-(4-methoxyphenyl)propyl]-1-isoindolinone
CID 3775723

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione (CID 2916180) is 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione is C=CCc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione?
The InChIKey is FXWPWOBBSJXBIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-2-7-14-8-3-6-11-18(14)25-13-15(22)12-21-19(23)16-9-4-5-10-17(16)20(21)24/h2-6,8-11,15,22H,1,7,12-13H2.
What are the key properties of 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione has a molecular weight of 337.38 g/mol, XLogP of 2.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-prop-2-enylphenoxy)propyl]isoindole-1,3-dione is sourced from PubChem (CID 2916180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).