2-hydroxy-1,1,3,3-tetramethylisoindole

C12H17NO — CID 11030629

IUPAC2-hydroxy-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1O
InChIInChI=1S/C12H17NO/c1-11(2)9-7-5-6-8-10(9)12(3,4)13(11)14/h5-8,14H,1-4H3
InChIKeyYLUNMWQQDYDAJP-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.86
Rot. Bonds

About 2-hydroxy-1,1,3,3-tetramethylisoindole

2-hydroxy-1,1,3,3-tetramethylisoindole (PubChem CID 11030629) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 2-hydroxy-1,1,3,3-tetramethylisoindole.

Molecular Properties

Compound Name2-hydroxy-1,1,3,3-tetramethylisoindole
PubChem CID11030629
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name2-hydroxy-1,1,3,3-tetramethylisoindole
SMILESCC1(C)c2ccccc2C(C)(C)N1O
InChIInChI=1S/C12H17NO/c1-11(2)9-7-5-6-8-10(9)12(3,4)13(11)14/h5-8,14H,1-4H3
InChIKeyYLUNMWQQDYDAJP-UHFFFAOYSA-N
XLogP2.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1,1,3,3-tetramethylisoindole?
The IUPAC name of 2-hydroxy-1,1,3,3-tetramethylisoindole (CID 11030629) is 2-hydroxy-1,1,3,3-tetramethylisoindole.
What is the SMILES notation for 2-hydroxy-1,1,3,3-tetramethylisoindole?
The canonical SMILES for 2-hydroxy-1,1,3,3-tetramethylisoindole is CC1(C)c2ccccc2C(C)(C)N1O.
What is the InChIKey of 2-hydroxy-1,1,3,3-tetramethylisoindole?
The InChIKey is YLUNMWQQDYDAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-11(2)9-7-5-6-8-10(9)12(3,4)13(11)14/h5-8,14H,1-4H3.
What are the key properties of 2-hydroxy-1,1,3,3-tetramethylisoindole?
2-hydroxy-1,1,3,3-tetramethylisoindole has a molecular weight of 191.27 g/mol, XLogP of 2.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1,1,3,3-tetramethylisoindole is sourced from PubChem (CID 11030629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).