2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

C16H13NO3 — CID 519849

IUPAC2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3
InChIKeyKBSAUETWMISGCC-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.49
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione

2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione (PubChem CID 519849) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
PubChem CID519849
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione
SMILESCOc1ccc(CN2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3
InChIKeyKBSAUETWMISGCC-UHFFFAOYSA-N
XLogP2.49
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Aniracetam
CID 2196
2-(4-Methoxy-benzyl)-4H-isoquinoline-1,3-dione
CID 1475552
5-(benzyloxy)-1H-isoindole-1,3(2H)-dione
CID 10682287
4-methoxy-N-(2-oxo-2-phenylethyl)benzamide
CID 796649
2-(4-Methoxy-phenyl)-2,3-dihydro-isoindol-1-one
CID 829359
N-(4-methoxyphenethyl)benzamide
CID 3083797
N-[(4-methoxyphenyl)methyl]-4-methylbenzamide
CID 720058
N,N-Diethyl-para-anisamide
CID 231459
1H-Isoindole-1,3(2H)-dione, 5,5'-oxybis[2-methyl-
CID 119652
(4-Methoxyphenyl)(4-phenylazepan-1-yl)methanone
CID 45269321
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
2-[2-(3-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 973136

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione (CID 519849) is 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione is COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione?
The InChIKey is KBSAUETWMISGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c1-20-12-8-6-11(7-9-12)10-17-15(18)13-4-2-3-5-14(13)16(17)19/h2-9H,10H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione?
2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione has a molecular weight of 267.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 519849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).