7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one

C17H15NO3 — CID 72947320

IUPAC7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
SMILESCOc1ccc2c(c1)OCCC21NC(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyZCUKIAOYJHPXHM-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.46
Rot. Bonds1

About 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one

7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one (PubChem CID 72947320) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one.

Molecular Properties

Compound Name7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
PubChem CID72947320
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one
SMILESCOc1ccc2c(c1)OCCC21NC(=O)c2ccccc21
InChIInChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19)
InChIKeyZCUKIAOYJHPXHM-UHFFFAOYSA-N
XLogP2.46
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The IUPAC name of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one (CID 72947320) is 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one.
What is the SMILES notation for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The canonical SMILES for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one is COc1ccc2c(c1)OCCC21NC(=O)c2ccccc21.
What is the InChIKey of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
The InChIKey is ZCUKIAOYJHPXHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c1-20-11-6-7-14-15(10-11)21-9-8-17(14)13-5-3-2-4-12(13)16(19)18-17/h2-7,10H,8-9H2,1H3,(H,18,19).
What are the key properties of 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one?
7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one has a molecular weight of 281.31 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxyspiro[2,3-dihydrochromene-4,3'-2H-isoindole]-1'-one is sourced from PubChem (CID 72947320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).