1-(5-chloro-1H-indol-3-yl)ethanol

C10H10ClNO — CID 117195568

IUPAC1-(5-chloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H10ClNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-6,12-13H,1H3
InChIKeyBKHYTURXOPMNOM-UHFFFAOYSA-N
MW195.65 g/mol
LogP2.87
Rot. Bonds1

About 1-(5-chloro-1H-indol-3-yl)ethanol

1-(5-chloro-1H-indol-3-yl)ethanol (PubChem CID 117195568) has the molecular formula C10H10ClNO and a molecular weight of 195.65 g/mol. Its IUPAC name is 1-(5-chloro-1H-indol-3-yl)ethanol.

Molecular Properties

Compound Name1-(5-chloro-1H-indol-3-yl)ethanol
PubChem CID117195568
Molecular FormulaC10H10ClNO
Molecular Weight195.65 g/mol
Exact Mass195.05
IUPAC Name1-(5-chloro-1H-indol-3-yl)ethanol
SMILESCC(O)c1c[nH]c2ccc(Cl)cc12
InChIInChI=1S/C10H10ClNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-6,12-13H,1H3
InChIKeyBKHYTURXOPMNOM-UHFFFAOYSA-N
XLogP2.87
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.65
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Analyze 1-(5-chloro-1H-indol-3-yl)ethanol 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

(1R)-1-(5-chloro-1H-indol-3-yl)ethanamine
CID 78961660
1-(5-chloro-1H-indol-3-yl)ethanamine
CID 3016992
5-chloro-3-(3-methylbutan-2-yl)-1H-indole
CID 106985155
(1S)-1-(5-chloro-1H-indol-3-yl)propan-1-ol
CID 82758549
1-(5-chloro-1H-indol-3-yl)butan-1-ol
CID 118499287
2-(5-chloro-1H-indol-3-yl)-3-methylbutan-1-amine
CID 82496887
(2S)-2-amino-2-(5-chloro-1H-indol-3-yl)ethanol
CID 96776234
1-(5,6-dimethyl-1H-indol-3-yl)ethanol
CID 83945019
(5-chloro-1H-indol-3-yl)-cyclopropylmethanamine
CID 82277697
5-chloro-3-heptan-3-yl-1H-indole
CID 106985273
1-(5-chloro-1H-indol-3-yl)-3-methylbutan-2-one
CID 166554148
(4-bromophenyl)sulfonyl-(5-chloro-1H-indol-3-yl)methanol
CID 66854034

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-1H-indol-3-yl)ethanol?
The IUPAC name of 1-(5-chloro-1H-indol-3-yl)ethanol (CID 117195568) is 1-(5-chloro-1H-indol-3-yl)ethanol.
What is the SMILES notation for 1-(5-chloro-1H-indol-3-yl)ethanol?
The canonical SMILES for 1-(5-chloro-1H-indol-3-yl)ethanol is CC(O)c1c[nH]c2ccc(Cl)cc12.
What is the InChIKey of 1-(5-chloro-1H-indol-3-yl)ethanol?
The InChIKey is BKHYTURXOPMNOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClNO/c1-6(13)9-5-12-10-3-2-7(11)4-8(9)10/h2-6,12-13H,1H3.
What are the key properties of 1-(5-chloro-1H-indol-3-yl)ethanol?
1-(5-chloro-1H-indol-3-yl)ethanol has a molecular weight of 195.65 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-1H-indol-3-yl)ethanol is sourced from PubChem (CID 117195568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).