[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol

C9H10ClNO — CID 130987856

IUPAC[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESOC[C@H]1NCc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO/c10-7-2-1-6-4-11-9(5-12)8(6)3-7/h1-3,9,11-12H,4-5H2/t9-/m1/s1
InChIKeyBTAQWYYCWMKYNG-SECBINFHSA-N
MW183.64 g/mol
LogP1.48
Rot. Bonds1

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

[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol (PubChem CID 130987856) has the molecular formula C9H10ClNO and a molecular weight of 183.64 g/mol. Its IUPAC name is [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol.

Molecular Properties

Compound Name[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
PubChem CID130987856
Molecular FormulaC9H10ClNO
Molecular Weight183.64 g/mol
Exact Mass183.05
IUPAC Name[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol
SMILESOC[C@H]1NCc2ccc(Cl)cc21
InChIInChI=1S/C9H10ClNO/c10-7-2-1-6-4-11-9(5-12)8(6)3-7/h1-3,9,11-12H,4-5H2/t9-/m1/s1
InChIKeyBTAQWYYCWMKYNG-SECBINFHSA-N
XLogP1.48
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.64
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[(1R)-6-methyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 130741067
[(1S)-6-methylsulfanyl-2,3-dihydro-1H-isoindol-1-yl]methanol
CID 131172463
6-chloro-2,3-dihydro-1H-isoindol-1-amine
CID 145207105
5-chloro-1-propyl-2,3-dihydro-1H-isoindole
CID 84733322
7-chloro-2,3,4,5-tetrahydro-1H-2-benzazepin-5-ol
CID 83679545
6-chloro-1,2,3,4-tetrahydroisoquinolin-4-ol;hydrochloride
CID 146013175
6-chloro-1-(3-methylphenyl)-2,3-dihydro-1H-isoindole
CID 84737218
(4S)-6-chloro-4-ethyl-1,2,3,4-tetrahydroisoquinoline
CID 86325815
(7-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methanol
CID 83358890
3-(2-methylpropyl)-2,3-dihydro-1H-isoindol-5-ol
CID 84733032
N-[(7-chloro-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]ethanamine
CID 105482669
(1R)-1-(hydroxymethyl)-1,2,3,4-tetrahydroisoquinolin-6-ol
CID 96972794

Frequently Asked Questions

What is the IUPAC name of [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol?
The IUPAC name of [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol (CID 130987856) is [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol.
What is the SMILES notation for [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol?
The canonical SMILES for [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol is OC[C@H]1NCc2ccc(Cl)cc21.
What is the InChIKey of [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol?
The InChIKey is BTAQWYYCWMKYNG-SECBINFHSA-N. The full InChI is InChI=1S/C9H10ClNO/c10-7-2-1-6-4-11-9(5-12)8(6)3-7/h1-3,9,11-12H,4-5H2/t9-/m1/s1.
What are the key properties of [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol?
[(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol has a molecular weight of 183.64 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-6-chloro-2,3-dihydro-1H-isoindol-1-yl]methanol is sourced from PubChem (CID 130987856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).