5-chloro-3-ethoxy-1-(4-fluorophenyl)indole

C16H13ClFNO — CID 23216008

IUPAC5-chloro-3-ethoxy-1-(4-fluorophenyl)indole
SMILESCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClFNO/c1-2-20-16-10-19(13-6-4-12(18)5-7-13)15-8-3-11(17)9-14(15)16/h3-10H,2H2,1H3
InChIKeyTYEATNWUPFQQNW-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.82
Rot. Bonds3

About 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole

5-chloro-3-ethoxy-1-(4-fluorophenyl)indole (PubChem CID 23216008) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole.

Molecular Properties

Compound Name5-chloro-3-ethoxy-1-(4-fluorophenyl)indole
PubChem CID23216008
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name5-chloro-3-ethoxy-1-(4-fluorophenyl)indole
SMILESCCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12
InChIInChI=1S/C16H13ClFNO/c1-2-20-16-10-19(13-6-4-12(18)5-7-13)15-8-3-11(17)9-14(15)16/h3-10H,2H2,1H3
InChIKeyTYEATNWUPFQQNW-UHFFFAOYSA-N
XLogP4.82
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole?
The IUPAC name of 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole (CID 23216008) is 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole.
What is the SMILES notation for 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole?
The canonical SMILES for 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole is CCOc1cn(-c2ccc(F)cc2)c2ccc(Cl)cc12.
What is the InChIKey of 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole?
The InChIKey is TYEATNWUPFQQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-2-20-16-10-19(13-6-4-12(18)5-7-13)15-8-3-11(17)9-14(15)16/h3-10H,2H2,1H3.
What are the key properties of 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole?
5-chloro-3-ethoxy-1-(4-fluorophenyl)indole has a molecular weight of 289.74 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-ethoxy-1-(4-fluorophenyl)indole is sourced from PubChem (CID 23216008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).