ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate

C24H18FNO6 — CID 66712997

IUPACethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
SMILESCCOC(=O)CN1C(=O)c2ccc(Oc3ccc(Oc4ccc(F)cc4)cc3)cc2C1=O
InChIInChI=1S/C24H18FNO6/c1-2-30-22(27)14-26-23(28)20-12-11-19(13-21(20)24(26)29)32-18-9-7-17(8-10-18)31-16-5-3-15(25)4-6-16/h3-13H,2,14H2,1H3
InChIKeyRBHWXYXSEINACY-UHFFFAOYSA-N
MW435.41 g/mol
LogP4.57
Rot. Bonds7

About ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate

ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate (PubChem CID 66712997) has the molecular formula C24H18FNO6 and a molecular weight of 435.41 g/mol. Its IUPAC name is ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
PubChem CID66712997
Molecular FormulaC24H18FNO6
Molecular Weight435.41 g/mol
Exact Mass435.11
IUPAC Nameethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
SMILESCCOC(=O)CN1C(=O)c2ccc(Oc3ccc(Oc4ccc(F)cc4)cc3)cc2C1=O
InChIInChI=1S/C24H18FNO6/c1-2-30-22(27)14-26-23(28)20-12-11-19(13-21(20)24(26)29)32-18-9-7-17(8-10-18)31-16-5-3-15(25)4-6-16/h3-13H,2,14H2,1H3
InChIKeyRBHWXYXSEINACY-UHFFFAOYSA-N
XLogP4.57
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(5-bromo-1,3-dioxoisoindol-2-yl)acetate
CID 698673
2-(1,3-dioxo-5-phenoxyisoindol-2-yl)acetic acid
CID 66713203
2-[13-(2-ethoxy-2-oxoethyl)-5,7,12,14-tetraoxo-6,13-diazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(15),2,4(16),8,10-pentaen-6-yl]acetic acid
CID 101269031
2-[5-[4-[2-(2-acetyloxyethyl)-1,3-dioxoisoindol-5-yl]oxyphenoxy]-1,3-dioxoisoindol-2-yl]ethyl acetate
CID 5210469
ethyl 2-(5-methoxy-2,3-dioxoindol-1-yl)acetate
CID 61354804
ethyl 2,2-bis[1,3-dioxo-5-(4-propoxyphenoxy)isoindol-2-yl]acetate
CID 67111404
2-[5-(3-aminophenoxy)-1,3-dioxoisoindol-2-yl]acetate
CID 8545542
ethyl 2-[4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 75366190
ethyl 2-[(4S)-4-(4-fluorophenyl)-2,5-dioxoimidazolidin-1-yl]acetate
CID 97161621
ethyl 2-(5,6-difluoro-2,3-dioxoindol-1-yl)acetate
CID 80746979
5-(4-aminophenoxy)-2-(2-methylpropyl)isoindole-1,3-dione
CID 8545276
6-[5-(2-methyl-1,3-dioxoisoindol-5-yl)oxy-1,3-dioxoisoindol-2-yl]hexylcarbamic acid
CID 90278435

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate?
The IUPAC name of ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate (CID 66712997) is ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate.
What is the SMILES notation for ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate?
The canonical SMILES for ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate is CCOC(=O)CN1C(=O)c2ccc(Oc3ccc(Oc4ccc(F)cc4)cc3)cc2C1=O.
What is the InChIKey of ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate?
The InChIKey is RBHWXYXSEINACY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO6/c1-2-30-22(27)14-26-23(28)20-12-11-19(13-21(20)24(26)29)32-18-9-7-17(8-10-18)31-16-5-3-15(25)4-6-16/h3-13H,2,14H2,1H3.
What are the key properties of ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate?
ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate has a molecular weight of 435.41 g/mol, XLogP of 4.57, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate is sourced from PubChem (CID 66712997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).