2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol

C10H12ClNO — CID 82164081

IUPAC2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
SMILESOCCN1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2
InChIKeyDHKWDTCACXTMKS-UHFFFAOYSA-N
MW197.66 g/mol
LogP1.65
Rot. Bonds2

About 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol

2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol (PubChem CID 82164081) has the molecular formula C10H12ClNO and a molecular weight of 197.66 g/mol. Its IUPAC name is 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol.

Molecular Properties

Compound Name2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
PubChem CID82164081
Molecular FormulaC10H12ClNO
Molecular Weight197.66 g/mol
Exact Mass197.06
IUPAC Name2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol
SMILESOCCN1Cc2ccc(Cl)cc2C1
InChIInChI=1S/C10H12ClNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2
InChIKeyDHKWDTCACXTMKS-UHFFFAOYSA-N
XLogP1.65
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.66
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-2-propyl-1,3-dihydroisoindole
CID 178136762
5-chloro-2-propyl-1,3-dihydroisoindole;ethane
CID 178136761
2-(5-bromo-1,3-dihydroisoindol-2-yl)ethanol
CID 82164047
2-(5-methyl-1,3-dihydroisoindol-2-yl)ethanol
CID 131133727
4-(5-chloro-1,3-dihydroisoindol-2-yl)butanoic acid
CID 82164089
2-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)ethanamine
CID 82279824
6-chloro-2-ethyl-3,4-dihydro-1H-isoquinoline
CID 58157144
4-[2-(4-hydroxybutyl)-1,3,5,7-tetrahydropyrrolo[3,4-f]isoindol-6-yl]butan-1-ol
CID 156689015
2-[4-[(2-amino-5-chlorophenyl)methyl]piperazin-1-yl]ethanol
CID 79582464
6-chloro-2-(2-phenoxyethyl)-3,4-dihydro-1H-isoquinoline
CID 110456922
2,8-dichloro-6,12-dihydroindazolo[2,1-a]indazole
CID 71507784
7-(1,3-dihydroisoindol-2-yl)heptan-1-ol
CID 165175514

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol?
The IUPAC name of 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol (CID 82164081) is 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol.
What is the SMILES notation for 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol?
The canonical SMILES for 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol is OCCN1Cc2ccc(Cl)cc2C1.
What is the InChIKey of 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol?
The InChIKey is DHKWDTCACXTMKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO/c11-10-2-1-8-6-12(3-4-13)7-9(8)5-10/h1-2,5,13H,3-4,6-7H2.
What are the key properties of 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol?
2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol has a molecular weight of 197.66 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1,3-dihydroisoindol-2-yl)ethanol is sourced from PubChem (CID 82164081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).