2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate

C23H17NO5 — CID 5145140

IUPAC2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H17NO5/c25-21-17-10-4-5-11-18(17)22(26)24(21)14-15-28-23(27)19-12-6-7-13-20(19)29-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyHJFXWWZPNBSLDO-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.93
Rot. Bonds6

About 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate

2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate (PubChem CID 5145140) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
PubChem CID5145140
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
SMILESO=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1Oc1ccccc1
InChIInChI=1S/C23H17NO5/c25-21-17-10-4-5-11-18(17)22(26)24(21)14-15-28-23(27)19-12-6-7-13-20(19)29-16-8-2-1-3-9-16/h1-13H,14-15H2
InChIKeyHJFXWWZPNBSLDO-UHFFFAOYSA-N
XLogP3.93
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methylbenzoate
CID 2604663
2-(1,3-dioxoisoindol-2-yl)ethyl 2-[methyl(phenyl)carbamoyl]benzoate
CID 2440290
2-(1,3-dioxoisoindol-2-yl)ethyl 2,4-dimethylbenzoate
CID 2544102
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenylsulfanylpyridine-3-carboxylate
CID 16515071
2-(1,3-dioxoisoindol-2-yl)ethyl 2,3,4,5,6-pentamethylbenzoate
CID 7235473
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methyl-3-nitrobenzoate
CID 2564560
2-(1,3-dioxoisoindol-2-yl)ethyl 2-methoxy-4-methylsulfanylbenzoate
CID 2681863
2-(1,3-dioxoisoindol-2-yl)ethyl 1H-pyrrole-2-carboxylate
CID 8543795
2-(1,3-dioxoisoindol-2-yl)ethyl 3,5-difluorobenzoate
CID 4545184
2-(1,3-dioxoisoindol-2-yl)ethyl 4-(1,3-dioxoisoindol-2-yl)benzoate
CID 2598527

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate (CID 5145140) is 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate is O=C(OCCN1C(=O)c2ccccc2C1=O)c1ccccc1Oc1ccccc1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate?
The InChIKey is HJFXWWZPNBSLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c25-21-17-10-4-5-11-18(17)22(26)24(21)14-15-28-23(27)19-12-6-7-13-20(19)29-16-8-2-1-3-9-16/h1-13H,14-15H2.
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate?
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate has a molecular weight of 387.39 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate is sourced from PubChem (CID 5145140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).