1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one

C24H19FO2 — CID 132550833

IUPAC1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)C1OC(c2cccc(F)c2)=Cc2ccccc21
InChIInChI=1S/C24H19FO2/c1-16(26)23(17-8-3-2-4-9-17)24-21-13-6-5-10-18(21)15-22(27-24)19-11-7-12-20(25)14-19/h2-15,23-24H,1H3
InChIKeyFSDFSOYEXGXIID-UHFFFAOYSA-N
MW358.41 g/mol
LogP5.77
Rot. Bonds4

About 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one

1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one (PubChem CID 132550833) has the molecular formula C24H19FO2 and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one
PubChem CID132550833
Molecular FormulaC24H19FO2
Molecular Weight358.41 g/mol
Exact Mass358.14
IUPAC Name1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one
SMILESCC(=O)C(c1ccccc1)C1OC(c2cccc(F)c2)=Cc2ccccc21
InChIInChI=1S/C24H19FO2/c1-16(26)23(17-8-3-2-4-9-17)24-21-13-6-5-10-18(21)15-22(27-24)19-11-7-12-20(25)14-19/h2-15,23-24H,1H3
InChIKeyFSDFSOYEXGXIID-UHFFFAOYSA-N
XLogP5.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.41
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(1S)-3-(3-fluorophenyl)-1H-isochromen-1-yl]pentane-2,4-dione
CID 132550831
(1R)-3-(4-fluorophenyl)-1-methyl-1H-isochromene
CID 134968599
1-amino-1-(3-fluorophenyl)propan-2-one
CID 55295099
2-[2-(3-fluorophenyl)phenyl]propanoic acid
CID 19601785
ethane;4-(3-fluorophenyl)-2-methylbenzoic acid
CID 143634129
2-[3-(3-fluorophenyl)-4-(trifluoromethyl)phenyl]benzoic acid
CID 46313199
2-(3-fluorophenyl)-2-[methyl-[(4-phenylphenyl)methyl]amino]acetamide
CID 86886828
1-phenyl-1-(4-phenylphenyl)propan-2-one
CID 156769575
2-[[5-(3-fluorophenyl)pyrimidin-2-yl]amino]propanoic acid
CID 116975230
(1R)-6-fluoro-1-methyl-3-(4-methylphenyl)-1H-isochromene
CID 134968652
4-fluoro-3-(3-fluorophenyl)benzoic acid
CID 46312321
1-ethenyl-3-phenyl-1H-isochromene
CID 15488576

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one?
The IUPAC name of 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one (CID 132550833) is 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one.
What is the SMILES notation for 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one?
The canonical SMILES for 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one is CC(=O)C(c1ccccc1)C1OC(c2cccc(F)c2)=Cc2ccccc21.
What is the InChIKey of 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one?
The InChIKey is FSDFSOYEXGXIID-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FO2/c1-16(26)23(17-8-3-2-4-9-17)24-21-13-6-5-10-18(21)15-22(27-24)19-11-7-12-20(25)14-19/h2-15,23-24H,1H3.
What are the key properties of 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one?
1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one has a molecular weight of 358.41 g/mol, XLogP of 5.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3-fluorophenyl)-1H-isochromen-1-yl]-1-phenylpropan-2-one is sourced from PubChem (CID 132550833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).