[(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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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).