6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole

C15H14ClN — CID 84737218

IUPAC6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1cccc(C2NCc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H14ClN/c1-10-3-2-4-11(7-10)15-14-8-13(16)6-5-12(14)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyZMAQVNSSCANTOW-UHFFFAOYSA-N
MW243.74 g/mol
LogP3.84
Rot. Bonds1

About 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole

6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole (PubChem CID 84737218) has the molecular formula C15H14ClN and a molecular weight of 243.74 g/mol. Its IUPAC name is 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
PubChem CID84737218
Molecular FormulaC15H14ClN
Molecular Weight243.74 g/mol
Exact Mass243.08
IUPAC Name6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
SMILESCc1cccc(C2NCc3ccc(Cl)cc32)c1
InChIInChI=1S/C15H14ClN/c1-10-3-2-4-11(7-10)15-14-8-13(16)6-5-12(14)9-17-15/h2-8,15,17H,9H2,1H3
InChIKeyZMAQVNSSCANTOW-UHFFFAOYSA-N
XLogP3.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole (CID 84737218) is 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole is Cc1cccc(C2NCc3ccc(Cl)cc32)c1.
What is the InChIKey of 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
The InChIKey is ZMAQVNSSCANTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN/c1-10-3-2-4-11(7-10)15-14-8-13(16)6-5-12(14)9-17-15/h2-8,15,17H,9H2,1H3.
What are the key properties of 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole?
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole has a molecular weight of 243.74 g/mol, XLogP of 3.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 84737218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).