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

C18H17NO5 — CID 10359060

IUPAC2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
SMILESCOc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17NO5/c1-23-15-8-4-5-9-16(15)24-11-12(20)10-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-9,12,20H,10-11H2,1H3
InChIKeyYKLAOTSNWQJCAF-UHFFFAOYSA-N
MW327.34 g/mol
LogP1.73
Rot. Bonds6

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

2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione (PubChem CID 10359060) has the molecular formula C18H17NO5 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
PubChem CID10359060
Molecular FormulaC18H17NO5
Molecular Weight327.34 g/mol
Exact Mass327.11
IUPAC Name2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
SMILESCOc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O
InChIInChI=1S/C18H17NO5/c1-23-15-8-4-5-9-16(15)24-11-12(20)10-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-9,12,20H,10-11H2,1H3
InChIKeyYKLAOTSNWQJCAF-UHFFFAOYSA-N
XLogP1.73
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 2880296
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
3-(2-methoxyphenoxy)propane-1,2-diol
CID 3516
2-[6-(1,3-dioxoisoindol-2-yl)-2,5-dihydroxyhexyl]isoindole-1,3-dione
CID 5232489
2-(1,3-dioxoisoindol-2-yl)-N-[2-hydroxy-3-(2-methylphenoxy)propyl]acetamide
CID 84562879
2-[(2R)-2-hydroxy-3-(4-isocyanophenoxy)propyl]isoindole-1,3-dione
CID 140774849
2-[2-hydroxy-3-[4-(2-methoxyphenyl)piperidin-1-yl]propyl]isoindole-1,3-dione
CID 3771326
2-[(2S)-2-hydroxy-3-prop-2-enoxypropyl]isoindole-1,3-dione
CID 101088829
ethyl 4-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]benzoate
CID 26007482
(2R)-1-[4-(2-hydroxyethyl)piperazin-1-yl]-3-(2-methoxyphenoxy)propan-2-ol
CID 29169851
2-[2-hydroxy-3-(4-methoxyanilino)propyl]isoindole-1,3-dione
CID 171988818

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione (CID 10359060) is 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione is COc1ccccc1OCC(O)CN1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione?
The InChIKey is YKLAOTSNWQJCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO5/c1-23-15-8-4-5-9-16(15)24-11-12(20)10-19-17(21)13-6-2-3-7-14(13)18(19)22/h2-9,12,20H,10-11H2,1H3.
What are the key properties of 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione?
2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione has a molecular weight of 327.34 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione is sourced from PubChem (CID 10359060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).