3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol

C12H17NO — CID 84733032

IUPAC3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
SMILESCC(C)CC1NCc2ccc(O)cc21
InChIInChI=1S/C12H17NO/c1-8(2)5-12-11-6-10(14)4-3-9(11)7-13-12/h3-4,6,8,12-14H,5,7H2,1-2H3
InChIKeyXNSFKFYLKMAFCJ-UHFFFAOYSA-N
MW191.27 g/mol
LogP2.58
Rot. Bonds2

About 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol

3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol (PubChem CID 84733032) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol.

Molecular Properties

Compound Name3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
PubChem CID84733032
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
SMILESCC(C)CC1NCc2ccc(O)cc21
InChIInChI=1S/C12H17NO/c1-8(2)5-12-11-6-10(14)4-3-9(11)7-13-12/h3-4,6,8,12-14H,5,7H2,1-2H3
InChIKeyXNSFKFYLKMAFCJ-UHFFFAOYSA-N
XLogP2.58
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpentyl)-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778678
3-phenyl-2,3-dihydro-1H-isoindol-5-ol
CID 84734566
1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinolin-7-amine
CID 11287190
7-fluoro-1-(2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline
CID 62375099
1-ethyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 22018521
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
6-hydroxy-2,3-dihydro-1H-isoindole-1-carboxylic acid
CID 130040307
8-fluoro-4-methyl-1-(2-methylpropyl)-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 114834413
3-cycloheptyl-2,3-dihydro-1H-isoindol-5-ol
CID 84736259
[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 131172463
[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130987856
4-(6-methoxy-2,3-dihydro-1H-isoindol-1-yl)phenol
CID 84737041

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol?
The IUPAC name of 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol (CID 84733032) is 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol.
What is the SMILES notation for 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol?
The canonical SMILES for 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol is CC(C)CC1NCc2ccc(O)cc21.
What is the InChIKey of 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol?
The InChIKey is XNSFKFYLKMAFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c1-8(2)5-12-11-6-10(14)4-3-9(11)7-13-12/h3-4,6,8,12-14H,5,7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol?
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol has a molecular weight of 191.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol is sourced from PubChem (CID 84733032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).