(2S)-1-(6-chloroindol-1-yl)propan-2-ol

C11H12ClNO — CID 70160052

IUPAC(2S)-1-(6-chloroindol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c1-8(14)7-13-5-4-9-2-3-10(12)6-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyWTDOMCCZXJLHOR-QMMMGPOBSA-N
MW209.68 g/mol
LogP2.68
Rot. Bonds2

About (2S)-1-(6-chloroindol-1-yl)propan-2-ol

(2S)-1-(6-chloroindol-1-yl)propan-2-ol (PubChem CID 70160052) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is (2S)-1-(6-chloroindol-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-(6-chloroindol-1-yl)propan-2-ol
PubChem CID70160052
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name(2S)-1-(6-chloroindol-1-yl)propan-2-ol
SMILESC[C@H](O)Cn1ccc2ccc(Cl)cc21
InChIInChI=1S/C11H12ClNO/c1-8(14)7-13-5-4-9-2-3-10(12)6-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1
InChIKeyWTDOMCCZXJLHOR-QMMMGPOBSA-N
XLogP2.68
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-1-(6-chloroindol-1-yl)propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(S)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 3045227
(R)-1-(6-chloro-5-fluoro-1H-indol-1-yl)propan-2-amine
CID 5745501
3-(6-chloro-1H-indol-1-yl)propanoic acid
CID 43163556
(1S,2R)-1-(4-chlorophenyl)-1-(1H-indol-1-yl)-3-(methylamino)propan-2-ol
CID 45483087
(1S,2R)-1-(6-chloro-1H-indol-1-yl)-1-(3-fluorophenyl)-3-(methylamino)propan-2-ol
CID 45483130
1-(4-Chlorophenyl)-1H-indole
CID 775716
1H-Indole-1-ethanol
CID 13734996
6-Chloro-1-methyl-1H-indole
CID 15335321
1-(2-Hydroxy-ethylamino)-3-indol-1-yl-propan-2-ol
CID 644945
{2-[6-Chloro-1-(4-fluoro-phenyl)-1H-indol-3-yl]-ethyl}-dimethyl-amine
CID 10829244
2-(1-(4-chlorobenzyl)-1H-indol-3-yl)-N,N-dimethylethanamine
CID 44438732
Sodium 2-[6-chloro-3-(2-methylpropyl)indol-1-yl]acetate
CID 44448924

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-chloroindol-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-(6-chloroindol-1-yl)propan-2-ol (CID 70160052) is (2S)-1-(6-chloroindol-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-(6-chloroindol-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-(6-chloroindol-1-yl)propan-2-ol is C[C@H](O)Cn1ccc2ccc(Cl)cc21.
What is the InChIKey of (2S)-1-(6-chloroindol-1-yl)propan-2-ol?
The InChIKey is WTDOMCCZXJLHOR-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H12ClNO/c1-8(14)7-13-5-4-9-2-3-10(12)6-11(9)13/h2-6,8,14H,7H2,1H3/t8-/m0/s1.
What are the key properties of (2S)-1-(6-chloroindol-1-yl)propan-2-ol?
(2S)-1-(6-chloroindol-1-yl)propan-2-ol has a molecular weight of 209.68 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-chloroindol-1-yl)propan-2-ol is sourced from PubChem (CID 70160052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).