3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol

C17H16FNO2 — CID 117175607

IUPAC3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
SMILESCCn1cc(COc2cccc(O)c2)c2cc(F)ccc21
InChIInChI=1S/C17H16FNO2/c1-2-19-10-12(16-8-13(18)6-7-17(16)19)11-21-15-5-3-4-14(20)9-15/h3-10,20H,2,11H2,1H3
InChIKeyZQJFLWLFBXFLOD-UHFFFAOYSA-N
MW285.32 g/mol
LogP4.08
Rot. Bonds4

About 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol

3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol (PubChem CID 117175607) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
PubChem CID117175607
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
SMILESCCn1cc(COc2cccc(O)c2)c2cc(F)ccc21
InChIInChI=1S/C17H16FNO2/c1-2-19-10-12(16-8-13(18)6-7-17(16)19)11-21-15-5-3-4-14(20)9-15/h3-10,20H,2,11H2,1H3
InChIKeyZQJFLWLFBXFLOD-UHFFFAOYSA-N
XLogP4.08
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
1-ethyl-3-[(4-hydroxyphenoxy)methyl]indol-5-ol
CID 117175642
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
1-ethyl-5-methyl-3-(phenoxymethyl)indole
CID 117185186
3-[(1,5-dimethylindol-3-yl)methoxy]phenol
CID 117185130
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
1-ethyl-3-(pyridin-3-yloxymethyl)indol-6-ol
CID 117179045
1-ethyl-3-[(2-fluorophenoxy)methyl]indol-5-amine
CID 117175552
1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919

Frequently Asked Questions

What is the IUPAC name of 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol?
The IUPAC name of 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol (CID 117175607) is 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol.
What is the SMILES notation for 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol?
The canonical SMILES for 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol is CCn1cc(COc2cccc(O)c2)c2cc(F)ccc21.
What is the InChIKey of 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol?
The InChIKey is ZQJFLWLFBXFLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c1-2-19-10-12(16-8-13(18)6-7-17(16)19)11-21-15-5-3-4-14(20)9-15/h3-10,20H,2,11H2,1H3.
What are the key properties of 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol?
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol has a molecular weight of 285.32 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117175607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).