2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione

C24H18FNO3 — CID 54297598

IUPAC2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FNO3/c1-16(14-15-26-23(27)21-4-2-3-5-22(21)24(26)28)17-6-10-19(11-7-17)29-20-12-8-18(25)9-13-20/h2-14H,15H2,1H3
InChIKeySBWNSRMOBYWSIV-UHFFFAOYSA-N
MW387.41 g/mol
LogP5.32
Rot. Bonds5

About 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione

2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione (PubChem CID 54297598) has the molecular formula C24H18FNO3 and a molecular weight of 387.41 g/mol. Its IUPAC name is 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
PubChem CID54297598
Molecular FormulaC24H18FNO3
Molecular Weight387.41 g/mol
Exact Mass387.13
IUPAC Name2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione
SMILESCC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(F)cc2)cc1
InChIInChI=1S/C24H18FNO3/c1-16(14-15-26-23(27)21-4-2-3-5-22(21)24(26)28)17-6-10-19(11-7-17)29-20-12-8-18(25)9-13-20/h2-14H,15H2,1H3
InChIKeySBWNSRMOBYWSIV-UHFFFAOYSA-N
XLogP5.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.41
LogP ≤ 55.32
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-[3-[4-(2-fluorophenyl)phenyl]but-2-enyl]isoindole-1,3-dione
CID 54254618
2-[4,4-bis(4-fluorophenyl)but-3-enyl]isoindole-1,3-dione
CID 110168474
2-[3-(2-phenylphenyl)but-2-enyl]isoindole-1,3-dione
CID 70596495
2-[2-(4-fluorophenoxy)ethyl]isoindole-1,3-dione
CID 2230352
2-[(E)-3-(4-fluorophenyl)prop-2-enyl]isoindole-1,3-dione
CID 23047146
3-(4-phenoxyphenyl)but-2-en-1-amine
CID 54192751
[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate
CID 7951318
2-[11-[4-[4-[11-(1,3-dioxoisoindol-2-yl)undecanoyl]phenoxy]phenyl]-11-oxoundecyl]isoindole-1,3-dione
CID 100984995
3-(1,3-dioxoisoindol-2-yl)propyl 4-fluorobenzoate
CID 31981087
(E)-3-[4-(4-fluorophenyl)phenyl]but-2-en-1-ol
CID 58816048
2-[(4-fluorophenyl)methyl]isoindole-1,3-dione
CID 2774444
ethyl 2-[5-[4-(4-fluorophenoxy)phenoxy]-1,3-dioxoisoindol-2-yl]acetate
CID 66712997

Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione (CID 54297598) is 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione is CC(=CCN1C(=O)c2ccccc2C1=O)c1ccc(Oc2ccc(F)cc2)cc1.
What is the InChIKey of 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione?
The InChIKey is SBWNSRMOBYWSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FNO3/c1-16(14-15-26-23(27)21-4-2-3-5-22(21)24(26)28)17-6-10-19(11-7-17)29-20-12-8-18(25)9-13-20/h2-14H,15H2,1H3.
What are the key properties of 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione?
2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione has a molecular weight of 387.41 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(4-fluorophenoxy)phenyl]but-2-enyl]isoindole-1,3-dione is sourced from PubChem (CID 54297598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).