6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol

C10H12ClNO — CID 151619405

IUPAC6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol
SMILESCCC1(O)NCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c1-2-10(13)9-5-8(11)4-3-7(9)6-12-10/h3-5,12-13H,2,6H2,1H3
InChIKeyQOEKKFDAILQVOV-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.00
Rot. Bonds1

About 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol

6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol (PubChem CID 151619405) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol.

Molecular Properties

Compound Name6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol
PubChem CID151619405
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol
SMILESCCC1(O)NCc2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c1-2-10(13)9-5-8(11)4-3-7(9)6-12-10/h3-5,12-13H,2,6H2,1H3
InChIKeyQOEKKFDAILQVOV-UHFFFAOYSA-N
XLogP2.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol?
The IUPAC name of 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol (CID 151619405) is 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol.
What is the SMILES notation for 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol?
The canonical SMILES for 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol is CCC1(O)NCc2ccc(Cl)cc21.
What is the InChIKey of 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol?
The InChIKey is QOEKKFDAILQVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-10(13)9-5-8(11)4-3-7(9)6-12-10/h3-5,12-13H,2,6H2,1H3.
What are the key properties of 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol?
6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol has a molecular weight of 197.66 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-ethyl-2,3-dihydroisoindol-1-ol is sourced from PubChem (CID 151619405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).