2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole

C15H14ClNO — CID 894282

IUPAC2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
SMILESCOc1ccc(N2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-18-15-7-6-13(8-14(15)16)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3
InChIKeyMIKWSOUOBKKUJS-UHFFFAOYSA-N
MW259.74 g/mol
LogP3.87
Rot. Bonds2

About 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole

2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole (PubChem CID 894282) has the molecular formula C15H14ClNO and a molecular weight of 259.74 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
PubChem CID894282
Molecular FormulaC15H14ClNO
Molecular Weight259.74 g/mol
Exact Mass259.08
IUPAC Name2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole
SMILESCOc1ccc(N2Cc3ccccc3C2)cc1Cl
InChIInChI=1S/C15H14ClNO/c1-18-15-7-6-13(8-14(15)16)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3
InChIKeyMIKWSOUOBKKUJS-UHFFFAOYSA-N
XLogP3.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.74
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole?
The IUPAC name of 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole (CID 894282) is 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole.
What is the SMILES notation for 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole?
The canonical SMILES for 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole is COc1ccc(N2Cc3ccccc3C2)cc1Cl.
What is the InChIKey of 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole?
The InChIKey is MIKWSOUOBKKUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO/c1-18-15-7-6-13(8-14(15)16)17-9-11-4-2-3-5-12(11)10-17/h2-8H,9-10H2,1H3.
What are the key properties of 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole?
2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole has a molecular weight of 259.74 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyphenyl)-1,3-dihydroisoindole is sourced from PubChem (CID 894282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).