5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione

C19H18FNO4 — CID 10150004

IUPAC5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
SMILESCOC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H18FNO4/c1-12(10-24-2)21-18(22)16-8-7-15(9-17(16)19(21)23)25-11-13-3-5-14(20)6-4-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyKSMVXZVYTCKBNA-LBPRGKRZSA-N
MW343.35 g/mol
LogP3.04
Rot. Bonds6

About 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione

5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione (PubChem CID 10150004) has the molecular formula C19H18FNO4 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
PubChem CID10150004
Molecular FormulaC19H18FNO4
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione
SMILESCOC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O
InChIInChI=1S/C19H18FNO4/c1-12(10-24-2)21-18(22)16-8-7-15(9-17(16)19(21)23)25-11-13-3-5-14(20)6-4-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1
InChIKeyKSMVXZVYTCKBNA-LBPRGKRZSA-N
XLogP3.04
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.35
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The IUPAC name of 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione (CID 10150004) is 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione.
What is the SMILES notation for 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The canonical SMILES for 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione is COC[C@H](C)N1C(=O)c2ccc(OCc3ccc(F)cc3)cc2C1=O.
What is the InChIKey of 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
The InChIKey is KSMVXZVYTCKBNA-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H18FNO4/c1-12(10-24-2)21-18(22)16-8-7-15(9-17(16)19(21)23)25-11-13-3-5-14(20)6-4-13/h3-9,12H,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione?
5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione has a molecular weight of 343.35 g/mol, XLogP of 3.04, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methoxy]-2-[(2S)-1-methoxypropan-2-yl]isoindole-1,3-dione is sourced from PubChem (CID 10150004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).