2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione

C18H17NO6 — CID 715638

IUPAC2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
SMILESCOc1ccc(OC[C@H](O)CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO6/c1-23-13-6-8-14(9-7-13)24-10-12(20)11-25-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3/t12-/m0/s1
InChIKeyBLIQOVYHHIMMDV-LBPRGKRZSA-N
MW343.34 g/mol
LogP1.66
Rot. Bonds7

About 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione

2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione (PubChem CID 715638) has the molecular formula C18H17NO6 and a molecular weight of 343.34 g/mol. Its IUPAC name is 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
PubChem CID715638
Molecular FormulaC18H17NO6
Molecular Weight343.34 g/mol
Exact Mass343.11
IUPAC Name2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione
SMILESCOc1ccc(OC[C@H](O)CON2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C18H17NO6/c1-23-13-6-8-14(9-7-13)24-10-12(20)11-25-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3/t12-/m0/s1
InChIKeyBLIQOVYHHIMMDV-LBPRGKRZSA-N
XLogP1.66
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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
3-(1,3-dioxoisoindol-2-yl)oxy-2-hydroxypropanoic acid
CID 131031670
2-[(2S)-3-(4-ethylphenoxy)-2-hydroxypropyl]isoindole-1,3-dione
CID 40804129
6-[2-hydroxy-3-(4-methoxyphenoxy)propyl]indeno[1,2-c]isoquinoline-5,11-dione
CID 127253469
2-[2-hydroxy-3-(4-methoxyanilino)propyl]isoindole-1,3-dione
CID 171988818
2,3-bis(4-methoxyphenyl)inden-1-one
CID 10991496
1-anilino-3-(4-methoxyphenoxy)propan-2-ol
CID 45153561
2-[(2R)-2-hydroxy-3-(4-isocyanophenoxy)propyl]isoindole-1,3-dione
CID 140774849
2-[2-hydroxy-3-(2-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 10359060
ethyl 4-[(2S)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]benzoate
CID 26007482
3-(1,3-dioxoisoindol-2-yl)-3-(4-methoxyphenyl)propanoic acid
CID 3121010

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione?
The IUPAC name of 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione (CID 715638) is 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione is COc1ccc(OC[C@H](O)CON2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione?
The InChIKey is BLIQOVYHHIMMDV-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H17NO6/c1-23-13-6-8-14(9-7-13)24-10-12(20)11-25-19-17(21)15-4-2-3-5-16(15)18(19)22/h2-9,12,20H,10-11H2,1H3/t12-/m0/s1.
What are the key properties of 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione?
2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione has a molecular weight of 343.34 g/mol, XLogP of 1.66, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propoxy]isoindole-1,3-dione is sourced from PubChem (CID 715638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).