3-chloro-2-(1H-indol-4-yloxy)propan-1-ol

C11H12ClNO2 — CID 10443669

IUPAC3-chloro-2-(1H-indol-4-yloxy)propan-1-ol
SMILESOCC(CCl)Oc1cccc2[nH]ccc12
InChIInChI=1S/C11H12ClNO2/c12-6-8(7-14)15-11-3-1-2-10-9(11)4-5-13-10/h1-5,8,13-14H,6-7H2
InChIKeyBDCRPPXXIRKXDT-UHFFFAOYSA-N
MW225.67 g/mol
LogP2.15
Rot. Bonds4

About 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol

3-chloro-2-(1H-indol-4-yloxy)propan-1-ol (PubChem CID 10443669) has the molecular formula C11H12ClNO2 and a molecular weight of 225.67 g/mol. Its IUPAC name is 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol.

Molecular Properties

Compound Name3-chloro-2-(1H-indol-4-yloxy)propan-1-ol
PubChem CID10443669
Molecular FormulaC11H12ClNO2
Molecular Weight225.67 g/mol
Exact Mass225.06
IUPAC Name3-chloro-2-(1H-indol-4-yloxy)propan-1-ol
SMILESOCC(CCl)Oc1cccc2[nH]ccc12
InChIInChI=1S/C11H12ClNO2/c12-6-8(7-14)15-11-3-1-2-10-9(11)4-5-13-10/h1-5,8,13-14H,6-7H2
InChIKeyBDCRPPXXIRKXDT-UHFFFAOYSA-N
XLogP2.15
TPSA45.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.67
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 3-chloro-2-(1H-indol-4-yloxy)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

CID 58110672
CID 58110672
2-hydroxy-3-(1H-indol-4-yloxy)propanoic acid
CID 13116553
4-(3-methylbutoxy)-1H-indole
CID 141124794
1H-indol-4-ol
CID 102220556
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
[2-(3-chloropropoxy)phenyl]-(1H-indol-4-yl)methanone
CID 14880470
(2S)-1-[[(2S)-2-hydroxy-3-(1H-indol-4-yloxy)propyl]-propan-2-ylamino]-3-(1H-indol-4-yloxy)propan-2-ol
CID 95162634
2-[2-hydroxy-3-(1H-indol-4-yloxy)propoxy]benzonitrile
CID 75432801
(2R)-1-(1H-indol-4-yloxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 172866223
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
1-(butan-2-ylamino)-3-(1H-indol-4-yloxy)propan-2-ol
CID 12790151
ethyl formate;4-methoxy-1H-indole
CID 175194292

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol?
The IUPAC name of 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol (CID 10443669) is 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol.
What is the SMILES notation for 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol?
The canonical SMILES for 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol is OCC(CCl)Oc1cccc2[nH]ccc12.
What is the InChIKey of 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol?
The InChIKey is BDCRPPXXIRKXDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c12-6-8(7-14)15-11-3-1-2-10-9(11)4-5-13-10/h1-5,8,13-14H,6-7H2.
What are the key properties of 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol?
3-chloro-2-(1H-indol-4-yloxy)propan-1-ol has a molecular weight of 225.67 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(1H-indol-4-yloxy)propan-1-ol is sourced from PubChem (CID 10443669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).