1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol

C16H13ClFNO — CID 58565353

IUPAC1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol
SMILESCC(O)c1cc2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFNO/c1-10(20)15-7-11-5-6-12(17)8-16(11)19(15)14-4-2-3-13(18)9-14/h2-10,20H,1H3
InChIKeyKKDHJZSJBKLYAZ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.48
Rot. Bonds2

About 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol

1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol (PubChem CID 58565353) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol
PubChem CID58565353
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol
SMILESCC(O)c1cc2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C16H13ClFNO/c1-10(20)15-7-11-5-6-12(17)8-16(11)19(15)14-4-2-3-13(18)9-14/h2-10,20H,1H3
InChIKeyKKDHJZSJBKLYAZ-UHFFFAOYSA-N
XLogP4.48
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol?
The IUPAC name of 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol (CID 58565353) is 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol.
What is the SMILES notation for 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol?
The canonical SMILES for 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol is CC(O)c1cc2ccc(Cl)cc2n1-c1cccc(F)c1.
What is the InChIKey of 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol?
The InChIKey is KKDHJZSJBKLYAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-10(20)15-7-11-5-6-12(17)8-16(11)19(15)14-4-2-3-13(18)9-14/h2-10,20H,1H3.
What are the key properties of 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol?
1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol has a molecular weight of 289.74 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-1-(3-fluorophenyl)indol-2-yl]ethanol is sourced from PubChem (CID 58565353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).