2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione

C22H19NO6 — CID 23967003

IUPAC2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCC(O)COCc2ccco2)cc1
InChIInChI=1S/C22H19NO6/c24-16(12-27-14-18-4-3-11-28-18)13-29-17-9-7-15(8-10-17)23-21(25)19-5-1-2-6-20(19)22(23)26/h1-11,16,24H,12-14H2
InChIKeyNYIRAKUYFURLQR-UHFFFAOYSA-N
MW393.40 g/mol
LogP3.04
Rot. Bonds8

About 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione

2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione (PubChem CID 23967003) has the molecular formula C22H19NO6 and a molecular weight of 393.40 g/mol. Its IUPAC name is 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione
PubChem CID23967003
Molecular FormulaC22H19NO6
Molecular Weight393.40 g/mol
Exact Mass393.12
IUPAC Name2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1c1ccc(OCC(O)COCc2ccco2)cc1
InChIInChI=1S/C22H19NO6/c24-16(12-27-14-18-4-3-11-28-18)13-29-17-9-7-15(8-10-17)23-21(25)19-5-1-2-6-20(19)22(23)26/h1-11,16,24H,12-14H2
InChIKeyNYIRAKUYFURLQR-UHFFFAOYSA-N
XLogP3.04
TPSA89.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.40
LogP ≤ 53.04
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

1-(3-chlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 167784638
1-[4-[3-[2-[3-[4-(3,4-dimethyl-2,5-dioxopyrrol-1-yl)phenoxy]-2-hydroxypropoxy]ethoxy]-2-hydroxypropoxy]phenyl]-3,4-dimethylpyrrole-2,5-dione
CID 118198193
1-[3-(dimethylamino)phenoxy]-3-(furan-2-ylmethoxy)propan-2-ol
CID 109415919
2-[(2S)-3-[4-[(2R)-3-(1,3-dioxoisoindol-2-yl)-2-hydroxypropoxy]phenoxy]-2-hydroxypropyl]isoindole-1,3-dione
CID 1102637
1-(2,4-dichlorophenoxy)-3-(furan-2-ylmethoxy)propan-2-ol
CID 109412981
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]-N-(furan-2-ylmethyl)acetamide
CID 110343476
(2R)-1-(furan-2-ylmethoxy)-3-[methyl(2-phenoxyethyl)amino]propan-2-ol
CID 2110208
1-(furan-2-ylmethoxy)-3-(methylamino)propan-2-ol
CID 2771927
(2S)-1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 942774
1-(furan-2-ylmethoxy)-3-pyrrolidin-1-ylpropan-2-ol
CID 2771920
3-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]-4-methylbenzonitrile
CID 109416674
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione (CID 23967003) is 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1c1ccc(OCC(O)COCc2ccco2)cc1.
What is the InChIKey of 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione?
The InChIKey is NYIRAKUYFURLQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO6/c24-16(12-27-14-18-4-3-11-28-18)13-29-17-9-7-15(8-10-17)23-21(25)19-5-1-2-6-20(19)22(23)26/h1-11,16,24H,12-14H2.
What are the key properties of 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione?
2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione has a molecular weight of 393.40 g/mol, XLogP of 3.04, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(furan-2-ylmethoxy)-2-hydroxypropoxy]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 23967003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).