2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol

C14H21NO2 — CID 114228337

IUPAC2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(C)(O)C1NCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-13(2,17-4)14(3,16)12-11-8-6-5-7-10(11)9-15-12/h5-8,12,15-16H,9H2,1-4H3
InChIKeyAQWFINZMKNUSFR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.01
Rot. Bonds3

About 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol

2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol (PubChem CID 114228337) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol
PubChem CID114228337
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol
SMILESCOC(C)(C)C(C)(O)C1NCc2ccccc21
InChIInChI=1S/C14H21NO2/c1-13(2,17-4)14(3,16)12-11-8-6-5-7-10(11)9-15-12/h5-8,12,15-16H,9H2,1-4H3
InChIKeyAQWFINZMKNUSFR-UHFFFAOYSA-N
XLogP2.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol?
The IUPAC name of 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol (CID 114228337) is 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol.
What is the SMILES notation for 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol?
The canonical SMILES for 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol is COC(C)(C)C(C)(O)C1NCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol?
The InChIKey is AQWFINZMKNUSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-13(2,17-4)14(3,16)12-11-8-6-5-7-10(11)9-15-12/h5-8,12,15-16H,9H2,1-4H3.
What are the key properties of 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol?
2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol has a molecular weight of 235.33 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-isoindol-1-yl)-3-methoxy-3-methylbutan-2-ol is sourced from PubChem (CID 114228337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).