(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate

C23H17NO5 — CID 16520775

IUPAC(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H17NO5/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-29-23(27)18-11-5-4-8-16(18)14-28-17-9-2-1-3-10-17/h1-13H,14-15H2
InChIKeyGCAGKZBSFBVXEA-UHFFFAOYSA-N
MW387.39 g/mol
LogP3.68
Rot. Bonds6

About (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate

(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate (PubChem CID 16520775) has the molecular formula C23H17NO5 and a molecular weight of 387.39 g/mol. Its IUPAC name is (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate.

Molecular Properties

Compound Name(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate
PubChem CID16520775
Molecular FormulaC23H17NO5
Molecular Weight387.39 g/mol
Exact Mass387.11
IUPAC Name(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate
SMILESO=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1COc1ccccc1
InChIInChI=1S/C23H17NO5/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-29-23(27)18-11-5-4-8-16(18)14-28-17-9-2-1-3-10-17/h1-13H,14-15H2
InChIKeyGCAGKZBSFBVXEA-UHFFFAOYSA-N
XLogP3.68
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 ≤ 53.68
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

ethyl 2-(phenoxymethyl)benzoate
CID 14674220
(2-amino-2-oxoethyl) 2-(phenoxymethyl)benzoate
CID 7949384
(1,3-dioxoisoindol-2-yl)methyl naphthalene-1-carboxylate
CID 3380450
2-(1,3-dioxoisoindol-2-yl)ethyl 2-(2-phenoxyethoxy)benzoate
CID 4537323
(1,3-dioxoisoindol-2-yl)methyl 2-(methylamino)benzoate
CID 16596143
(1,3-dioxoisoindol-2-yl)methyl 2-(4-phenylmethoxyphenoxy)acetate
CID 2555543
[2-(2-methoxyphenyl)-2-oxoethyl] 2-(phenoxymethyl)benzoate
CID 7949326
2-(1,3-dioxoisoindol-2-yl)ethyl 2-phenoxybenzoate
CID 5145140
(1,3-dioxoisoindol-2-yl)methyl 2,4-dimethylbenzoate
CID 7373205
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
acetic acid;2-(phenoxymethyl)benzoic acid
CID 154809758
1,3-benzothiazol-2-ylmethyl 2-(phenoxymethyl)benzoate
CID 7653236

Frequently Asked Questions

What is the IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate?
The IUPAC name of (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate (CID 16520775) is (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate.
What is the SMILES notation for (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate?
The canonical SMILES for (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate is O=C(OCN1C(=O)c2ccccc2C1=O)c1ccccc1COc1ccccc1.
What is the InChIKey of (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate?
The InChIKey is GCAGKZBSFBVXEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO5/c25-21-19-12-6-7-13-20(19)22(26)24(21)15-29-23(27)18-11-5-4-8-16(18)14-28-17-9-2-1-3-10-17/h1-13H,14-15H2.
What are the key properties of (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate?
(1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate has a molecular weight of 387.39 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dioxoisoindol-2-yl)methyl 2-(phenoxymethyl)benzoate is sourced from PubChem (CID 16520775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).