2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride

C9H12ClNO — CID 86767696

IUPAC2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride
SMILESCl.OCC1NCc2ccccc21
InChIInChI=1S/C9H11NO.ClH/c11-6-9-8-4-2-1-3-7(8)5-10-9;/h1-4,9-11H,5-6H2;1H
InChIKeyUQWXDZZWXMHEPC-UHFFFAOYSA-N
MW185.65 g/mol
LogP1.25
Rot. Bonds1

About 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride

2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride (PubChem CID 86767696) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride.

Molecular Properties

Compound Name2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride
PubChem CID86767696
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride
SMILESCl.OCC1NCc2ccccc21
InChIInChI=1S/C9H11NO.ClH/c11-6-9-8-4-2-1-3-7(8)5-10-9;/h1-4,9-11H,5-6H2;1H
InChIKeyUQWXDZZWXMHEPC-UHFFFAOYSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride?
The IUPAC name of 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride (CID 86767696) is 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride.
What is the SMILES notation for 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride?
The canonical SMILES for 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride is Cl.OCC1NCc2ccccc21.
What is the InChIKey of 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride?
The InChIKey is UQWXDZZWXMHEPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO.ClH/c11-6-9-8-4-2-1-3-7(8)5-10-9;/h1-4,9-11H,5-6H2;1H.
What are the key properties of 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride?
2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride has a molecular weight of 185.65 g/mol, XLogP of 1.25, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-isoindol-1-ylmethanol;hydrochloride is sourced from PubChem (CID 86767696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).