2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione

C17H15NO5 — CID 10852650

IUPAC2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
SMILESCOc1cc(OC)cc(OCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO5/c1-21-11-7-12(22-2)9-13(8-11)23-10-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3
InChIKeyLORHZAPNRUDRSS-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.34
Rot. Bonds5

About 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione

2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione (PubChem CID 10852650) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
PubChem CID10852650
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione
SMILESCOc1cc(OC)cc(OCN2C(=O)c3ccccc3C2=O)c1
InChIInChI=1S/C17H15NO5/c1-21-11-7-12(22-2)9-13(8-11)23-10-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3
InChIKeyLORHZAPNRUDRSS-UHFFFAOYSA-N
XLogP2.34
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.34
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-[8-(3-methoxyphenoxy)octyl]isoindole-1,3-dione
CID 90319094
4-[(1,3-dioxoisoindol-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66438194
2-[2-hydroxy-3-(4-methoxyphenoxy)propyl]isoindole-1,3-dione
CID 2880296
2-[(E)-4-(4-methoxyphenyl)but-3-enyl]isoindole-1,3-dione
CID 10566659
N-[(1,3-dioxoisoindol-2-yl)methyl]-3,5-dimethoxy-N-(2-methoxyphenyl)benzamide
CID 2332485
2-(2-ethoxyethoxymethyl)isoindole-1,3-dione
CID 134109727
2-[(4-benzoyl-3-hydroxyphenoxy)methyl]isoindole-1,3-dione
CID 146550400
2-[2-(3-propoxyphenoxy)ethyl]isoindole-1,3-dione
CID 69097570
2-[2-(3-methoxy-N-methylanilino)ethyl]isoindole-1,3-dione
CID 131850985
2-[2-[3-[(2-methoxyphenyl)methoxy]phenoxy]ethyl]isoindole-1,3-dione
CID 67316681
(1,3-dioxoisoindol-2-yl)methyl 2-methylpropanoate
CID 164850701
2-[(2-chloro-4-nitrophenoxy)methyl]isoindole-1,3-dione
CID 4676161

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione (CID 10852650) is 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione is COc1cc(OC)cc(OCN2C(=O)c3ccccc3C2=O)c1.
What is the InChIKey of 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione?
The InChIKey is LORHZAPNRUDRSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO5/c1-21-11-7-12(22-2)9-13(8-11)23-10-18-16(19)14-5-3-4-6-15(14)17(18)20/h3-9H,10H2,1-2H3.
What are the key properties of 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione?
2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione has a molecular weight of 313.31 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dimethoxyphenoxy)methyl]isoindole-1,3-dione is sourced from PubChem (CID 10852650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).