3-(6-chloro-1H-indol-2-yl)propan-1-ol

C11H12ClNO — CID 119085344

IUPAC3-(6-chloro-1H-indol-2-yl)propan-1-ol
SMILESOCCCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClNO/c12-9-4-3-8-6-10(2-1-5-14)13-11(8)7-9/h3-4,6-7,13-14H,1-2,5H2
InChIKeyJOHVKGLFUUHPPO-UHFFFAOYSA-N
MW209.68 g/mol
LogP2.75
Rot. Bonds3

About 3-(6-chloro-1H-indol-2-yl)propan-1-ol

3-(6-chloro-1H-indol-2-yl)propan-1-ol (PubChem CID 119085344) has the molecular formula C11H12ClNO and a molecular weight of 209.68 g/mol. Its IUPAC name is 3-(6-chloro-1H-indol-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-chloro-1H-indol-2-yl)propan-1-ol
PubChem CID119085344
Molecular FormulaC11H12ClNO
Molecular Weight209.68 g/mol
Exact Mass209.06
IUPAC Name3-(6-chloro-1H-indol-2-yl)propan-1-ol
SMILESOCCCc1cc2ccc(Cl)cc2[nH]1
InChIInChI=1S/C11H12ClNO/c12-9-4-3-8-6-10(2-1-5-14)13-11(8)7-9/h3-4,6-7,13-14H,1-2,5H2
InChIKeyJOHVKGLFUUHPPO-UHFFFAOYSA-N
XLogP2.75
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.68
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 3-(6-chloro-1H-indol-2-yl)propan-1-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

2-(6-chloro-1H-indol-2-yl)ethanol
CID 83674317
N-[(6-chloro-1H-indol-2-yl)methyl]ethanamine
CID 117180309
2-(3-chloropropyl)-1H-indole
CID 13271043
diethyl 2-[3-(6-chloro-1H-indol-2-yl)propanoylamino]propanedioate
CID 53408152
6-chloro-3-(3-hydroxypropyl)-1H-indole-2-carboxylic acid
CID 90083235
2-butyl-1H-indol-6-amine
CID 119094791
6-bromo-2-octyl-1H-indole
CID 86224131
14-(5-methoxy-1H-indol-2-yl)tetradecan-1-ol
CID 23073452
(7-chloro-2-oxo-1H-quinolin-3-yl)phosphonic acid
CID 10945159
3-(4-chloro-2-fluorophenyl)propan-1-ol
CID 53425229
N-[(6-chloro-1H-indol-2-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 125481816
7-chloro-1H-quinoline-2-thione
CID 83637429

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-1H-indol-2-yl)propan-1-ol?
The IUPAC name of 3-(6-chloro-1H-indol-2-yl)propan-1-ol (CID 119085344) is 3-(6-chloro-1H-indol-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-chloro-1H-indol-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-chloro-1H-indol-2-yl)propan-1-ol is OCCCc1cc2ccc(Cl)cc2[nH]1.
What is the InChIKey of 3-(6-chloro-1H-indol-2-yl)propan-1-ol?
The InChIKey is JOHVKGLFUUHPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO/c12-9-4-3-8-6-10(2-1-5-14)13-11(8)7-9/h3-4,6-7,13-14H,1-2,5H2.
What are the key properties of 3-(6-chloro-1H-indol-2-yl)propan-1-ol?
3-(6-chloro-1H-indol-2-yl)propan-1-ol has a molecular weight of 209.68 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-1H-indol-2-yl)propan-1-ol is sourced from PubChem (CID 119085344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).