[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol

C10H13NO — CID 130741067

IUPAC[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESCc1ccc2c(c1)[C@H](CO)NC2
InChIInChI=1S/C10H13NO/c1-7-2-3-8-5-11-10(6-12)9(8)4-7/h2-4,10-12H,5-6H2,1H3/t10-/m0/s1
InChIKeyNDZVXZSTYVXITI-JTQLQIEISA-N
MW163.22 g/mol
LogP1.13
Rot. Bonds1

About [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol

[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol (PubChem CID 130741067) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
PubChem CID130741067
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC Name[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESCc1ccc2c(c1)[C@H](CO)NC2
InChIInChI=1S/C10H13NO/c1-7-2-3-8-5-11-10(6-12)9(8)4-7/h2-4,10-12H,5-6H2,1H3/t10-/m0/s1
InChIKeyNDZVXZSTYVXITI-JTQLQIEISA-N
XLogP1.13
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130987856
6-methyl-2,3-dihydro-1H-isoindol-1-amine
CID 20773265
(7-methyl-1,2,3,4-tetrahydroisoquinolin-3-yl)methanol;hydrochloride
CID 91928406
1-(4-fluorophenyl)-6-methyl-2,3-dihydro-1H-isoindole
CID 84735923
2-(6-methyl-2,3-dihydro-1H-isoindol-1-yl)-2-oxoacetaldehyde
CID 174734512
(8-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-yl)methanol
CID 165458581
1-cycloheptyl-6-methyl-2,3-dihydro-1H-isoindole
CID 84736095
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
(7-methyl-1,2,3,4-tetrahydronaphthalen-1-yl)methanol
CID 589411
(6aS,12bR)-2-methyl-5,6,6a,7,8,12b-hexahydrobenzo[a]phenanthridine-10,11-diol
CID 57340488
4-fluoro-6-methyl-1,2,3,4-tetrahydroisoquinoline
CID 84717063

Frequently Asked Questions

What is the IUPAC name of [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol (CID 130741067) is [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol is Cc1ccc2c(c1)[C@H](CO)NC2.
What is the InChIKey of [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
The InChIKey is NDZVXZSTYVXITI-JTQLQIEISA-N. The full InChI is InChI=1S/C10H13NO/c1-7-2-3-8-5-11-10(6-12)9(8)4-7/h2-4,10-12H,5-6H2,1H3/t10-/m0/s1.
What are the key properties of [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol?
[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol has a molecular weight of 163.22 g/mol, XLogP of 1.13, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 130741067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).