2,3-dihydroisoindol-1-one;2-phenylchromen-4-one

C23H17NO3 — CID 175495786

IUPAC2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
SMILESO=C1NCc2ccccc21.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O2.C8H7NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;10-8-7-4-2-1-3-6(7)5-9-8/h1-10H;1-4H,5H2,(H,9,10)
InChIKeySQGPSAOJWFZBKS-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.39
Rot. Bonds1

About 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one

2,3-dihydroisoindol-1-one;2-phenylchromen-4-one (PubChem CID 175495786) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one.

Molecular Properties

Compound Name2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
PubChem CID175495786
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name2,3-dihydroisoindol-1-one;2-phenylchromen-4-one
SMILESO=C1NCc2ccccc21.O=c1cc(-c2ccccc2)oc2ccccc12
InChIInChI=1S/C15H10O2.C8H7NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;10-8-7-4-2-1-3-6(7)5-9-8/h1-10H;1-4H,5H2,(H,9,10)
InChIKeySQGPSAOJWFZBKS-UHFFFAOYSA-N
XLogP4.39
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylchromen-4-one
CID 90124083
copper;2-phenylchromen-4-one
CID 175169427
CID 159796273
CID 159796273
2,3-dihydroisoindol-1-one;methane
CID 161271775
5,7-dihydroxy-2-phenylchromen-4-one;2-phenylchromen-4-one
CID 68816707
2,5-diphenylchromen-4-one
CID 71424268
2-dibenzofuran-1-ylchromen-4-one
CID 168888509
2,3-dihydroisoindol-1-one;perylene
CID 157138971
2-(2-methylphenyl)chromen-4-one
CID 776385
7-hydroxy-2-phenylchromen-4-one
CID 5281894
2-(4-nitrophenyl)chromen-4-one
CID 622510
7,8-dihydrochromeno[3,4-c]isoquinolin-6-one
CID 24756332

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one?
The IUPAC name of 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one (CID 175495786) is 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one.
What is the SMILES notation for 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one?
The canonical SMILES for 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one is O=C1NCc2ccccc21.O=c1cc(-c2ccccc2)oc2ccccc12.
What is the InChIKey of 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one?
The InChIKey is SQGPSAOJWFZBKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2.C8H7NO/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14;10-8-7-4-2-1-3-6(7)5-9-8/h1-10H;1-4H,5H2,(H,9,10).
What are the key properties of 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one?
2,3-dihydroisoindol-1-one;2-phenylchromen-4-one has a molecular weight of 355.39 g/mol, XLogP of 4.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydroisoindol-1-one;2-phenylchromen-4-one is sourced from PubChem (CID 175495786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).