2-(5-chloro-1-ethylindol-2-yl)propan-1-ol

C13H16ClNO — CID 117121568

IUPAC2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
SMILESCCn1c(C(C)CO)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-3-15-12-5-4-11(14)6-10(12)7-13(15)9(2)8-16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyBRXRTMHJYMKMLN-UHFFFAOYSA-N
MW237.73 g/mol
LogP3.41
Rot. Bonds3

About 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol

2-(5-chloro-1-ethylindol-2-yl)propan-1-ol (PubChem CID 117121568) has the molecular formula C13H16ClNO and a molecular weight of 237.73 g/mol. Its IUPAC name is 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol.

Molecular Properties

Compound Name2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
PubChem CID117121568
Molecular FormulaC13H16ClNO
Molecular Weight237.73 g/mol
Exact Mass237.09
IUPAC Name2-(5-chloro-1-ethylindol-2-yl)propan-1-ol
SMILESCCn1c(C(C)CO)cc2cc(Cl)ccc21
InChIInChI=1S/C13H16ClNO/c1-3-15-12-5-4-11(14)6-10(12)7-13(15)9(2)8-16/h4-7,9,16H,3,8H2,1-2H3
InChIKeyBRXRTMHJYMKMLN-UHFFFAOYSA-N
XLogP3.41
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.73
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(5-chloro-1-ethylindol-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

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol?
The IUPAC name of 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol (CID 117121568) is 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol.
What is the SMILES notation for 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol?
The canonical SMILES for 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol is CCn1c(C(C)CO)cc2cc(Cl)ccc21.
What is the InChIKey of 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol?
The InChIKey is BRXRTMHJYMKMLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClNO/c1-3-15-12-5-4-11(14)6-10(12)7-13(15)9(2)8-16/h4-7,9,16H,3,8H2,1-2H3.
What are the key properties of 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol?
2-(5-chloro-1-ethylindol-2-yl)propan-1-ol has a molecular weight of 237.73 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-1-ethylindol-2-yl)propan-1-ol is sourced from PubChem (CID 117121568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).