2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione

C22H22FNO7 — CID 153438162

IUPAC2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1COC(c2ccc(OCCO)c(F)c2)OC1
InChIInChI=1S/C22H22FNO7/c23-18-11-14(5-6-19(18)29-10-8-25)22-30-12-15(13-31-22)28-9-7-24-20(26)16-3-1-2-4-17(16)21(24)27/h1-6,11,15,22,25H,7-10,12-13H2
InChIKeyBWXLTCQTIMPZQN-UHFFFAOYSA-N
MW431.42 g/mol
LogP1.92
Rot. Bonds8

About 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione

2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione (PubChem CID 153438162) has the molecular formula C22H22FNO7 and a molecular weight of 431.42 g/mol. Its IUPAC name is 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione
PubChem CID153438162
Molecular FormulaC22H22FNO7
Molecular Weight431.42 g/mol
Exact Mass431.14
IUPAC Name2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCOC1COC(c2ccc(OCCO)c(F)c2)OC1
InChIInChI=1S/C22H22FNO7/c23-18-11-14(5-6-19(18)29-10-8-25)22-30-12-15(13-31-22)28-9-7-24-20(26)16-3-1-2-4-17(16)21(24)27/h1-6,11,15,22,25H,7-10,12-13H2
InChIKeyBWXLTCQTIMPZQN-UHFFFAOYSA-N
XLogP1.92
TPSA94.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione with MolForge

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Related Compounds

ethene;2-[3-[[2-[3-fluoro-4-(trioxidanyl)phenyl]-1,3-dioxan-5-yl]oxy]propyl]isoindole-1,3-dione
CID 160569873
2-[2-(2-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 934440
5-azido-N-[3-[4-[4-[4-(1,3-dioxoisoindol-2-yl)butyl]-1,3-dioxolan-2-yl]-2-fluorophenoxy]propyl]pentanamide
CID 129036758
2-[4-[2-[4-(2-hydroxyethoxy)phenyl]-1,3-dioxolan-4-yl]butyl]isoindole-1,3-dione
CID 153438160
2-[4-[2-[4-(2,3-diethoxypropoxy)-3-fluorophenyl]-1,3-dioxolan-4-yl]butyl]isoindole-1,3-dione
CID 129036752
5-azido-N-[2-[2-[4-[4-[4-(1,3-dioxoisoindol-2-yl)butyl]-1,3-dioxolan-2-yl]-2-fluorophenoxy]ethoxy]ethyl]pentanamide
CID 131998633
2-(2-piperidin-4-yloxyethyl)isoindole-1,3-dione
CID 63870873
2-[4-[4-(2,3-difluoro-4-pent-4-enoxyphenyl)phenyl]-3-fluorophenyl]-5-methyl-1,3-dioxane
CID 88998526
2-[2-(2-ethoxy-5-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 22157085
2-(1,3-dioxoisoindol-2-yl)ethyl 3-fluoro-4-methoxybenzoate
CID 7991343
2-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyloxy)ethyl]isoindole-1,3-dione
CID 23964124
2-[12-(4-methyl-2-phenylphenoxy)dodecyl]isoindole-1,3-dione
CID 70494668

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione (CID 153438162) is 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCOC1COC(c2ccc(OCCO)c(F)c2)OC1.
What is the InChIKey of 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione?
The InChIKey is BWXLTCQTIMPZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FNO7/c23-18-11-14(5-6-19(18)29-10-8-25)22-30-12-15(13-31-22)28-9-7-24-20(26)16-3-1-2-4-17(16)21(24)27/h1-6,11,15,22,25H,7-10,12-13H2.
What are the key properties of 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione?
2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione has a molecular weight of 431.42 g/mol, XLogP of 1.92, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-[3-fluoro-4-(2-hydroxyethoxy)phenyl]-1,3-dioxan-5-yl]oxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 153438162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).