6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]

C16H12ClNO — CID 175941979

IUPAC6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]
SMILESClc1ccc2c(c1)C=COC21NCc2ccccc21
InChIInChI=1S/C16H12ClNO/c17-13-5-6-15-11(9-13)7-8-19-16(15)14-4-2-1-3-12(14)10-18-16/h1-9,18H,10H2
InChIKeyKQDQSTUIPAESRN-UHFFFAOYSA-N
MW269.73 g/mol
LogP3.65
Rot. Bonds

About 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]

6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene] (PubChem CID 175941979) has the molecular formula C16H12ClNO and a molecular weight of 269.73 g/mol. Its IUPAC name is 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene].

Molecular Properties

Compound Name6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]
PubChem CID175941979
Molecular FormulaC16H12ClNO
Molecular Weight269.73 g/mol
Exact Mass269.06
IUPAC Name6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]
SMILESClc1ccc2c(c1)C=COC21NCc2ccccc21
InChIInChI=1S/C16H12ClNO/c17-13-5-6-15-11(9-13)7-8-19-16(15)14-4-2-1-3-12(14)10-18-16/h1-9,18H,10H2
InChIKeyKQDQSTUIPAESRN-UHFFFAOYSA-N
XLogP3.65
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]?
The IUPAC name of 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene] (CID 175941979) is 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene].
What is the SMILES notation for 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]?
The canonical SMILES for 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene] is Clc1ccc2c(c1)C=COC21NCc2ccccc21.
What is the InChIKey of 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]?
The InChIKey is KQDQSTUIPAESRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClNO/c17-13-5-6-15-11(9-13)7-8-19-16(15)14-4-2-1-3-12(14)10-18-16/h1-9,18H,10H2.
What are the key properties of 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene]?
6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene] has a molecular weight of 269.73 g/mol, XLogP of 3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-chlorospiro[1,2-dihydroisoindole-3,1'-isochromene] is sourced from PubChem (CID 175941979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).