2-hydroxy-3,3-dimethyl-1H-isoindole

C10H13NO — CID 23635567

IUPAC2-hydroxy-3,3-dimethyl-1H-isoindole
SMILESCC1(C)c2ccccc2CN1O
InChIInChI=1S/C10H13NO/c1-10(2)9-6-4-3-5-8(9)7-11(10)12/h3-6,12H,7H2,1-2H3
InChIKeyUBWCRILTBKAZGW-UHFFFAOYSA-N
MW163.22 g/mol
LogP2.13
Rot. Bonds

About 2-hydroxy-3,3-dimethyl-1H-isoindole

2-hydroxy-3,3-dimethyl-1H-isoindole (PubChem CID 23635567) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is 2-hydroxy-3,3-dimethyl-1H-isoindole.

Molecular Properties

Compound Name2-hydroxy-3,3-dimethyl-1H-isoindole
PubChem CID23635567
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name2-hydroxy-3,3-dimethyl-1H-isoindole
SMILESCC1(C)c2ccccc2CN1O
InChIInChI=1S/C10H13NO/c1-10(2)9-6-4-3-5-8(9)7-11(10)12/h3-6,12H,7H2,1-2H3
InChIKeyUBWCRILTBKAZGW-UHFFFAOYSA-N
XLogP2.13
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3,3-dimethyl-1H-isoindole?
The IUPAC name of 2-hydroxy-3,3-dimethyl-1H-isoindole (CID 23635567) is 2-hydroxy-3,3-dimethyl-1H-isoindole.
What is the SMILES notation for 2-hydroxy-3,3-dimethyl-1H-isoindole?
The canonical SMILES for 2-hydroxy-3,3-dimethyl-1H-isoindole is CC1(C)c2ccccc2CN1O.
What is the InChIKey of 2-hydroxy-3,3-dimethyl-1H-isoindole?
The InChIKey is UBWCRILTBKAZGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-10(2)9-6-4-3-5-8(9)7-11(10)12/h3-6,12H,7H2,1-2H3.
What are the key properties of 2-hydroxy-3,3-dimethyl-1H-isoindole?
2-hydroxy-3,3-dimethyl-1H-isoindole has a molecular weight of 163.22 g/mol, XLogP of 2.13, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3,3-dimethyl-1H-isoindole is sourced from PubChem (CID 23635567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).