2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione

C19H19NO4 — CID 69097570

IUPAC2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
SMILESCCCOc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H19NO4/c1-2-11-23-14-6-5-7-15(13-14)24-12-10-20-18(21)16-8-3-4-9-17(16)19(20)22/h3-9,13H,2,10-12H2,1H3
InChIKeyVMBDLJFNGPZJRD-UHFFFAOYSA-N
MW325.36 g/mol
LogP3.15
Rot. Bonds7

About 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione

2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione (PubChem CID 69097570) has the molecular formula C19H19NO4 and a molecular weight of 325.36 g/mol. Its IUPAC name is 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
PubChem CID69097570
Molecular FormulaC19H19NO4
Molecular Weight325.36 g/mol
Exact Mass325.13
IUPAC Name2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
SMILESCCCOc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C19H19NO4/c1-2-11-23-14-6-5-7-15(13-14)24-12-10-20-18(21)16-8-3-4-9-17(16)19(20)22/h3-9,13H,2,10-12H2,1H3
InChIKeyVMBDLJFNGPZJRD-UHFFFAOYSA-N
XLogP3.15
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
2-[2-(4-hexoxyphenoxy)ethyl]isoindole-1,3-dione
CID 90319157
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
CID 67316681
2-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
2-[2-[3-(cyclobutylmethoxy)phenoxy]ethyl]isoindole-1,3-dione
CID 67316336
2-[2-(4-ethylphenoxy)ethyl]isoindole-1,3-dione
CID 17368121
methyl 2-[3-[2-(1,3-dioxoisoindol-2-yl)ethoxy]phenyl]acetate
CID 14917019
2-[2-(4-chloro-3-methylphenoxy)ethyl]isoindole-1,3-dione
CID 7542719
2-(1,3-dioxoisoindol-2-yl)ethyl 4-propoxybenzoate
CID 7211840
2-[3-(3-bromophenoxy)propyl]isoindole-1,3-dione
CID 68968338
2-[4-(3-chlorophenoxy)butyl]isoindole-1,3-dione
CID 170886143
N-methylmethanamine;2-[4-(3-methylphenoxy)butyl]isoindole-1,3-dione
CID 19830935

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione (CID 69097570) is 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione is CCCOc1cccc(OCCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione?
The InChIKey is VMBDLJFNGPZJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO4/c1-2-11-23-14-6-5-7-15(13-14)24-12-10-20-18(21)16-8-3-4-9-17(16)19(20)22/h3-9,13H,2,10-12H2,1H3.
What are the key properties of 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione?
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione has a molecular weight of 325.36 g/mol, XLogP of 3.15, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione is sourced from PubChem (CID 69097570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).