2-(1-phenylbut-3-enoxy)isoindole-1,3-dione

C18H15NO3 — CID 23251030

IUPAC2-(1-phenylbut-3-enoxy)isoindole-1,3-dione
SMILESC=CCC(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-8-16(13-9-4-3-5-10-13)22-19-17(20)14-11-6-7-12-15(14)18(19)21/h2-7,9-12,16H,1,8H2
InChIKeyRFVCRTSKMXTBDQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.53
Rot. Bonds5

About 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione

2-(1-phenylbut-3-enoxy)isoindole-1,3-dione (PubChem CID 23251030) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(1-phenylbut-3-enoxy)isoindole-1,3-dione
PubChem CID23251030
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Name2-(1-phenylbut-3-enoxy)isoindole-1,3-dione
SMILESC=CCC(ON1C(=O)c2ccccc2C1=O)c1ccccc1
InChIInChI=1S/C18H15NO3/c1-2-8-16(13-9-4-3-5-10-13)22-19-17(20)14-11-6-7-12-15(14)18(19)21/h2-7,9-12,16H,1,8H2
InChIKeyRFVCRTSKMXTBDQ-UHFFFAOYSA-N
XLogP3.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-tridec-1-en-4-yloxyisoindole-1,3-dione
CID 72701710
2-[2-(4-bromophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568118
methyl (Z)-7-(1,3-dioxoisoindol-2-yl)oxy-7-phenylhept-2-en-4-ynoate
CID 135013423
[(1R)-1-phenylbut-3-enyl] prop-2-enoate
CID 11195026
2-[2-(4-chlorophenyl)-2-(1,3-dioxoisoindol-2-yl)oxyethoxy]isoindole-1,3-dione
CID 132568120
1-phenylbut-3-enyl hydrogen sulfate
CID 87479107
1-phenylbut-3-enyl carbamate
CID 126509930
methyl 2-(1-phenylbut-3-enoxy)acetate
CID 11775632
(E)-4-oxo-4-(1-phenylbut-3-enoxy)but-2-enoic acid
CID 18458468
2-hept-6-enoxyisoindole-1,3-dione
CID 162768811
[(4S)-4-(1,3-dioxoisoindol-2-yl)oxyhex-5-enyl] benzoate
CID 134961328
trimethyl-[(S)-phenyl-[(1S)-1-phenylbut-3-enoxy]methyl]silane
CID 15532498

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione?
The IUPAC name of 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione (CID 23251030) is 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione.
What is the SMILES notation for 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione?
The canonical SMILES for 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione is C=CCC(ON1C(=O)c2ccccc2C1=O)c1ccccc1.
What is the InChIKey of 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione?
The InChIKey is RFVCRTSKMXTBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-8-16(13-9-4-3-5-10-13)22-19-17(20)14-11-6-7-12-15(14)18(19)21/h2-7,9-12,16H,1,8H2.
What are the key properties of 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione?
2-(1-phenylbut-3-enoxy)isoindole-1,3-dione has a molecular weight of 293.32 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylbut-3-enoxy)isoindole-1,3-dione is sourced from PubChem (CID 23251030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).