2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione

C18H15NO5 — CID 7960043

IUPAC2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-23-11-7-8-14(16(9-11)24-2)15(20)10-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3
InChIKeyISCBPLJMFKFQDE-UHFFFAOYSA-N
MW325.32 g/mol
LogP2.18
Rot. Bonds5

About 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 7960043) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID7960043
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione
SMILESCOc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1
InChIInChI=1S/C18H15NO5/c1-23-11-7-8-14(16(9-11)24-2)15(20)10-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3
InChIKeyISCBPLJMFKFQDE-UHFFFAOYSA-N
XLogP2.18
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 52.18
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

N-(4-methoxybenzyl)phthalimide
CID 519849
1,3-Dihydroisoindol-2-yl-(2-hydroxy-4-methoxy-5-propan-2-yl-phenyl)methanone
CID 11955555
Hericerin
CID 102195678
3-((1,3-Dioxoisoindolin-2-yl)methyl)-4-methoxybenzaldehyde
CID 818605
4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl 6-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)hexanoate
CID 1554692
5-[(1,3-dioxo-2,3-dihydro-1H-isoindol-2-yl)methyl]-2-methoxybenzoic acid
CID 2451164
Hericenone B
CID 14482559
Methyl 4-[2-(1,3-dioxoisoindol-2-yl)acetyl]oxybenzoate
CID 728514
2-acetyl-4-methylphenyl (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetate
CID 733522
2-[2-(3-isopropoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 1262692
2-[2-(4-methoxyphenyl)-2-oxoethyl]-1H-isoindole-1,3(2H)-dione
CID 2815658
3-[N-Propyl-N-(4-phthalimidobutyl)amino]-5-methoxychroman
CID 10251673

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione (CID 7960043) is 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione is COc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)c(OC)c1.
What is the InChIKey of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is ISCBPLJMFKFQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c1-23-11-7-8-14(16(9-11)24-2)15(20)10-19-17(21)12-5-3-4-6-13(12)18(19)22/h3-9H,10H2,1-2H3.
What are the key properties of 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 325.32 g/mol, XLogP of 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 7960043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).