5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol

C10H12ClNO — CID 123490736

IUPAC5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol
SMILESCCC1NC(O)c2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9-10,12-13H,2H2,1H3
InChIKeyYRDRKXXDQUZVKA-UHFFFAOYSA-N
MW197.66 g/mol
LogP2.39
Rot. Bonds1

About 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol

5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol (PubChem CID 123490736) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol.

Molecular Properties

Compound Name5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol
PubChem CID123490736
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol
SMILESCCC1NC(O)c2ccc(Cl)cc21
InChIInChI=1S/C10H12ClNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9-10,12-13H,2H2,1H3
InChIKeyYRDRKXXDQUZVKA-UHFFFAOYSA-N
XLogP2.39
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 ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol?
The IUPAC name of 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol (CID 123490736) is 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol.
What is the SMILES notation for 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol?
The canonical SMILES for 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol is CCC1NC(O)c2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol?
The InChIKey is YRDRKXXDQUZVKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c1-2-9-8-5-6(11)3-4-7(8)10(13)12-9/h3-5,9-10,12-13H,2H2,1H3.
What are the key properties of 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol?
5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol has a molecular weight of 197.66 g/mol, XLogP of 2.39, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethyl-2,3-dihydro-1H-isoindol-1-ol is sourced from PubChem (CID 123490736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).