3-methoxy-1-phenyl-1H-isoindole

C15H13NO — CID 12792470

IUPAC3-methoxy-1-phenyl-1H-isoindole
SMILESCOC1=NC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO/c1-17-15-13-10-6-5-9-12(13)14(16-15)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyLTGOWYYXVFBQIH-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.18
Rot. Bonds1

About 3-methoxy-1-phenyl-1H-isoindole

3-methoxy-1-phenyl-1H-isoindole (PubChem CID 12792470) has the molecular formula C15H13NO and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-methoxy-1-phenyl-1H-isoindole.

Molecular Properties

Compound Name3-methoxy-1-phenyl-1H-isoindole
PubChem CID12792470
Molecular FormulaC15H13NO
Molecular Weight223.28 g/mol
Exact Mass223.10
IUPAC Name3-methoxy-1-phenyl-1H-isoindole
SMILESCOC1=NC(c2ccccc2)c2ccccc21
InChIInChI=1S/C15H13NO/c1-17-15-13-10-6-5-9-12(13)14(16-15)11-7-3-2-4-8-11/h2-10,14H,1H3
InChIKeyLTGOWYYXVFBQIH-UHFFFAOYSA-N
XLogP3.18
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-phenyl-1H-isoindole?
The IUPAC name of 3-methoxy-1-phenyl-1H-isoindole (CID 12792470) is 3-methoxy-1-phenyl-1H-isoindole.
What is the SMILES notation for 3-methoxy-1-phenyl-1H-isoindole?
The canonical SMILES for 3-methoxy-1-phenyl-1H-isoindole is COC1=NC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-methoxy-1-phenyl-1H-isoindole?
The InChIKey is LTGOWYYXVFBQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO/c1-17-15-13-10-6-5-9-12(13)14(16-15)11-7-3-2-4-8-11/h2-10,14H,1H3.
What are the key properties of 3-methoxy-1-phenyl-1H-isoindole?
3-methoxy-1-phenyl-1H-isoindole has a molecular weight of 223.28 g/mol, XLogP of 3.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-phenyl-1H-isoindole is sourced from PubChem (CID 12792470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).