2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione

C19H18FNO3 — CID 135006107

IUPAC2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C19H18FNO3/c20-14-6-3-5-13(11-14)12-15(22)7-4-10-21-18(23)16-8-1-2-9-17(16)19(21)24/h1-3,5-6,8-9,11,15,22H,4,7,10,12H2
InChIKeyGVAPJJCBCAOABG-UHFFFAOYSA-N
MW327.36 g/mol
LogP2.81
Rot. Bonds6

About 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione

2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione (PubChem CID 135006107) has the molecular formula C19H18FNO3 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione
PubChem CID135006107
Molecular FormulaC19H18FNO3
Molecular Weight327.36 g/mol
Exact Mass327.13
IUPAC Name2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCC(O)Cc1cccc(F)c1
InChIInChI=1S/C19H18FNO3/c20-14-6-3-5-13(11-14)12-15(22)7-4-10-21-18(23)16-8-1-2-9-17(16)19(21)24/h1-3,5-6,8-9,11,15,22H,4,7,10,12H2
InChIKeyGVAPJJCBCAOABG-UHFFFAOYSA-N
XLogP2.81
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione?
The IUPAC name of 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione (CID 135006107) is 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione?
The canonical SMILES for 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCC(O)Cc1cccc(F)c1.
What is the InChIKey of 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione?
The InChIKey is GVAPJJCBCAOABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO3/c20-14-6-3-5-13(11-14)12-15(22)7-4-10-21-18(23)16-8-1-2-9-17(16)19(21)24/h1-3,5-6,8-9,11,15,22H,4,7,10,12H2.
What are the key properties of 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione?
2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione has a molecular weight of 327.36 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluorophenyl)-4-hydroxypentyl]isoindole-1,3-dione is sourced from PubChem (CID 135006107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).