3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole

C17H15ClFNO — CID 117171901

IUPAC3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
SMILESCCn1cc(COc2cccc(Cl)c2)c2c(F)cccc21
InChIInChI=1S/C17H15ClFNO/c1-2-20-10-12(17-15(19)7-4-8-16(17)20)11-21-14-6-3-5-13(18)9-14/h3-10H,2,11H2,1H3
InChIKeyNQLLNVOWGXCWHM-UHFFFAOYSA-N
MW303.76 g/mol
LogP5.03
Rot. Bonds4

About 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole

3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole (PubChem CID 117171901) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole.

Molecular Properties

Compound Name3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
PubChem CID117171901
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole
SMILESCCn1cc(COc2cccc(Cl)c2)c2c(F)cccc21
InChIInChI=1S/C17H15ClFNO/c1-2-20-10-12(17-15(19)7-4-8-16(17)20)11-21-14-6-3-5-13(18)9-14/h3-10H,2,11H2,1H3
InChIKeyNQLLNVOWGXCWHM-UHFFFAOYSA-N
XLogP5.03
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.76
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-4-fluoro-3-[(3-methoxyphenoxy)methyl]indole
CID 117171919
3-[(3-chlorophenoxy)methyl]-1-ethylindol-5-ol
CID 117175592
1-ethyl-3-[(3-hydroxyphenoxy)methyl]indol-4-ol
CID 117171916
1-ethyl-3-(phenoxymethyl)indol-4-amine
CID 117171827
3-[(1-ethyl-4-methylindol-3-yl)methoxy]phenol
CID 117184653
3-[(3-chlorophenoxy)methyl]-4-methyl-1-propan-2-ylindole
CID 117184652
1-ethyl-3-[(2-fluorophenoxy)methyl]-4-methylindole
CID 117184639
[1-ethyl-3-[(4-fluorophenoxy)methyl]indol-4-yl]methanamine
CID 117171659
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
1-(1-ethyl-4-fluoroindol-3-yl)-2-methylpropan-2-ol
CID 117119655
1-ethyl-3-[(3-fluorophenoxy)methyl]-6-methylindole
CID 117185749
3-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175607

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole?
The IUPAC name of 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole (CID 117171901) is 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole.
What is the SMILES notation for 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole?
The canonical SMILES for 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole is CCn1cc(COc2cccc(Cl)c2)c2c(F)cccc21.
What is the InChIKey of 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole?
The InChIKey is NQLLNVOWGXCWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-2-20-10-12(17-15(19)7-4-8-16(17)20)11-21-14-6-3-5-13(18)9-14/h3-10H,2,11H2,1H3.
What are the key properties of 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole?
3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole has a molecular weight of 303.76 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenoxy)methyl]-1-ethyl-4-fluoroindole is sourced from PubChem (CID 117171901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).