3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol

C17H16ClNO2 — CID 117175592

IUPAC3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
SMILESCCn1cc(COc2cccc(Cl)c2)c2cc(O)ccc21
InChIInChI=1S/C17H16ClNO2/c1-2-19-10-12(16-9-14(20)6-7-17(16)19)11-21-15-5-3-4-13(18)8-15/h3-10,20H,2,11H2,1H3
InChIKeyBIAOIXNUHXLPJG-UHFFFAOYSA-N
MW301.77 g/mol
LogP4.60
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol

3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol (PubChem CID 117175592) has the molecular formula C17H16ClNO2 and a molecular weight of 301.77 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
PubChem CID117175592
Molecular FormulaC17H16ClNO2
Molecular Weight301.77 g/mol
Exact Mass301.09
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
SMILESCCn1cc(COc2cccc(Cl)c2)c2cc(O)ccc21
InChIInChI=1S/C17H16ClNO2/c1-2-19-10-12(16-9-14(20)6-7-17(16)19)11-21-15-5-3-4-13(18)8-15/h3-10,20H,2,11H2,1H3
InChIKeyBIAOIXNUHXLPJG-UHFFFAOYSA-N
XLogP4.60
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-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

1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
CID 117171901
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-7-ol
CID 117182492
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-(azepan-1-ylmethyl)-1-ethylindol-5-ol
CID 117175480

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol (CID 117175592) is 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol is CCn1cc(COc2cccc(Cl)c2)c2cc(O)ccc21.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol?
The InChIKey is BIAOIXNUHXLPJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNO2/c1-2-19-10-12(16-9-14(20)6-7-17(16)19)11-21-15-5-3-4-13(18)8-15/h3-10,20H,2,11H2,1H3.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol?
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol has a molecular weight of 301.77 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol is sourced from PubChem (CID 117175592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).