2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione

C21H17NO3 — CID 2950586

IUPAC2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(c1ccccc1)c1ccco1
InChIInChI=1S/C21H17NO3/c23-20-17-9-4-5-10-18(17)21(24)22(20)13-12-16(19-11-6-14-25-19)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2
InChIKeyYPKZONTUWJSOQS-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.10
Rot. Bonds5

About 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione

2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione (PubChem CID 2950586) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione
PubChem CID2950586
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCC(c1ccccc1)c1ccco1
InChIInChI=1S/C21H17NO3/c23-20-17-9-4-5-10-18(17)21(24)22(20)13-12-16(19-11-6-14-25-19)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2
InChIKeyYPKZONTUWJSOQS-UHFFFAOYSA-N
XLogP4.10
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.10
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-(1,3-Dioxo-1,3-Dihydro-2h-Isoindol-2-Yl)Ethyl)-4-(4'-Ethoxy-1,1'-Biphenyl-4-Yl)-4-Oxobutanoic Acid
CID 448384
2-(3-Phenoxypropyl)isoindoline-1,3-dione
CID 249759
2-[2-(3-methylphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 973136
2-(2-(4-Fluorophenoxy)ethyl)isoindoline-1,3-dione
CID 2230352
N-(furan-2-ylmethyl)-N-[3-(furan-2-yl)-3-(4-methylphenyl)propyl]propanamide
CID 2929761
N-[3-(furan-2-yl)-4-methylpentyl]-N-[(4-propan-2-yloxyphenyl)methyl]acetamide
CID 3603800
3-methoxy-2-(4-methoxybenzyl)-2,3-dihydro-1H-isoindol-1-one
CID 3653878
3-(4-fluorophenyl)-3-(furan-2-yl)-N,N-dipropylpropanamide
CID 661862
2-[2-(4-Methylphenoxy)ethyl]isoindole-1,3-dione
CID 972604
2-[2-(4-methoxyphenoxy)ethyl]-1H-isoindole-1,3(2H)-dione
CID 4367024
2-[1-(furan-3-ylmethyl)piperidin-4-yl]-3-oxo-1H-isoindole-4-carboxamide
CID 73776943
2-(2-furylmethyl)-1H-isoindole-1,3(2H)-dione
CID 758210

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione (CID 2950586) is 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCC(c1ccccc1)c1ccco1.
What is the InChIKey of 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione?
The InChIKey is YPKZONTUWJSOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c23-20-17-9-4-5-10-18(17)21(24)22(20)13-12-16(19-11-6-14-25-19)15-7-2-1-3-8-15/h1-11,14,16H,12-13H2.
What are the key properties of 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione?
2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione has a molecular weight of 331.37 g/mol, XLogP of 4.10, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-3-phenylpropyl]isoindole-1,3-dione is sourced from PubChem (CID 2950586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).