2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole

C17H15ClFNO — CID 117180708

IUPAC2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
SMILESCCn1c(COc2cccc(Cl)c2)cc2ccc(F)cc21
InChIInChI=1S/C17H15ClFNO/c1-2-20-15(8-12-6-7-14(19)10-17(12)20)11-21-16-5-3-4-13(18)9-16/h3-10H,2,11H2,1H3
InChIKeyDFCZUAGYCOQAQP-UHFFFAOYSA-N
MW303.76 g/mol
LogP5.03
Rot. Bonds4

About 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole

2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole (PubChem CID 117180708) has the molecular formula C17H15ClFNO and a molecular weight of 303.76 g/mol. Its IUPAC name is 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole.

Molecular Properties

Compound Name2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
PubChem CID117180708
Molecular FormulaC17H15ClFNO
Molecular Weight303.76 g/mol
Exact Mass303.08
IUPAC Name2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole
SMILESCCn1c(COc2cccc(Cl)c2)cc2ccc(F)cc21
InChIInChI=1S/C17H15ClFNO/c1-2-20-15(8-12-6-7-14(19)10-17(12)20)11-21-16-5-3-4-13(18)9-16/h3-10H,2,11H2,1H3
InChIKeyDFCZUAGYCOQAQP-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-5-fluoro-2-[(3-fluorophenoxy)methyl]indole
CID 117177258
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-ethyl-5-fluoro-2-[(3-methylphenoxy)methyl]indole
CID 117177248
4-[(6-chloro-1-ethylindol-2-yl)methoxy]phenol
CID 117180760
1-ethyl-6-fluoro-2-[(2-methoxyphenoxy)methyl]indole
CID 117180685
1-ethyl-5-fluoro-2-(phenoxymethyl)indole
CID 117177203
5-chloro-1-ethyl-2-(phenoxymethyl)indole
CID 117177204
[1-ethyl-2-[(4-fluorophenoxy)methyl]indol-6-yl]methanamine
CID 117180500
2-[(4-chlorophenoxy)methyl]-1-ethylindole
CID 117173925
1-ethyl-5-fluoro-2-[(4-fluorophenoxy)methyl]indole
CID 117177295
1-ethyl-2-[(3-methylphenoxy)methyl]indole
CID 117173866
2-[(3-chlorophenoxy)methyl]-1-methylindol-6-amine
CID 117180203

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole?
The IUPAC name of 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole (CID 117180708) is 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole.
What is the SMILES notation for 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole?
The canonical SMILES for 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole is CCn1c(COc2cccc(Cl)c2)cc2ccc(F)cc21.
What is the InChIKey of 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole?
The InChIKey is DFCZUAGYCOQAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClFNO/c1-2-20-15(8-12-6-7-14(19)10-17(12)20)11-21-16-5-3-4-13(18)9-16/h3-10H,2,11H2,1H3.
What are the key properties of 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole?
2-[(3-chlorophenoxy)methyl]-1-ethyl-6-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 2-[(3-chlorophenoxy)methyl]-1-ethyl-6-fluoroindole is sourced from PubChem (CID 117180708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).