2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione

C24H20BrNO3 — CID 143066752

IUPAC2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione
SMILESCc1ccc(C(OCCN2C(=O)c3ccccc3C2=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrNO3/c1-16-6-8-17(9-7-16)22(18-10-12-19(25)13-11-18)29-15-14-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3
InChIKeyWCHGTJJUMIDQQW-UHFFFAOYSA-N
MW450.33 g/mol
LogP5.16
Rot. Bonds6

About 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione

2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione (PubChem CID 143066752) has the molecular formula C24H20BrNO3 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione
PubChem CID143066752
Molecular FormulaC24H20BrNO3
Molecular Weight450.33 g/mol
Exact Mass449.06
IUPAC Name2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione
SMILESCc1ccc(C(OCCN2C(=O)c3ccccc3C2=O)c2ccc(Br)cc2)cc1
InChIInChI=1S/C24H20BrNO3/c1-16-6-8-17(9-7-16)22(18-10-12-19(25)13-11-18)29-15-14-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3
InChIKeyWCHGTJJUMIDQQW-UHFFFAOYSA-N
XLogP5.16
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.33
LogP ≤ 55.16
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

2-(2-propan-2-yloxyethyl)isoindole-1,3-dione
CID 58120400
2-[2-[2-[2-[2-[2-(1,3-dioxoisoindol-2-yl)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 12692562
2-[2-[2-(2-bromoethoxy)ethoxy]ethyl]isoindole-1,3-dione
CID 13028612
2-[2-[2-[2-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl]isoindole-1,3-dione
CID 155179726
2-[2-[(5-bromo-2-pyridinyl)oxy]ethyl]isoindole-1,3-dione
CID 126469357
1-methyl-4-[phenyl(propoxy)methyl]benzene
CID 54382280
3-(1,3-dioxoisoindol-2-yl)-N-[(R)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797989
2-[4-(5-bromo-2-methylphenoxy)butyl]isoindole-1,3-dione
CID 155920684
3-(1,3-dioxoisoindol-2-yl)-N-[(S)-(4-methylphenyl)-phenylmethyl]propanamide
CID 8797996
2-(2-hydroperoxyethyl)isoindole-1,3-dione
CID 144780934
2-[2-(3-bromophenoxy)ethyl]isoindole-1,3-dione;ethane
CID 91468658
1-bromo-4-[2-chloroethoxy(phenyl)methyl]benzene
CID 131667562

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione (CID 143066752) is 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione is Cc1ccc(C(OCCN2C(=O)c3ccccc3C2=O)c2ccc(Br)cc2)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione?
The InChIKey is WCHGTJJUMIDQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20BrNO3/c1-16-6-8-17(9-7-16)22(18-10-12-19(25)13-11-18)29-15-14-26-23(27)20-4-2-3-5-21(20)24(26)28/h2-13,22H,14-15H2,1H3.
What are the key properties of 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione?
2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione has a molecular weight of 450.33 g/mol, XLogP of 5.16, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)-(4-methylphenyl)methoxy]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 143066752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).