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

C15H11ClFNO — CID 58565373

IUPAC[6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol
SMILESOCc1cc2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFNO/c16-11-5-4-10-6-14(9-19)18(15(10)7-11)13-3-1-2-12(17)8-13/h1-8,19H,9H2
InChIKeyPJGMHHWZDFRWQJ-UHFFFAOYSA-N
MW275.71 g/mol
LogP3.92
Rot. Bonds2

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

[6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol (PubChem CID 58565373) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol.

Molecular Properties

Compound Name[6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol
PubChem CID58565373
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name[6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol
SMILESOCc1cc2ccc(Cl)cc2n1-c1cccc(F)c1
InChIInChI=1S/C15H11ClFNO/c16-11-5-4-10-6-14(9-19)18(15(10)7-11)13-3-1-2-12(17)8-13/h1-8,19H,9H2
InChIKeyPJGMHHWZDFRWQJ-UHFFFAOYSA-N
XLogP3.92
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol?
The IUPAC name of [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol (CID 58565373) is [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol.
What is the SMILES notation for [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol?
The canonical SMILES for [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol is OCc1cc2ccc(Cl)cc2n1-c1cccc(F)c1.
What is the InChIKey of [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol?
The InChIKey is PJGMHHWZDFRWQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-11-5-4-10-6-14(9-19)18(15(10)7-11)13-3-1-2-12(17)8-13/h1-8,19H,9H2.
What are the key properties of [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol?
[6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol has a molecular weight of 275.71 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-1-(3-fluorophenyl)indol-2-yl]methanol is sourced from PubChem (CID 58565373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).