1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol

C16H16FNO — CID 65042584

IUPAC1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C16H16FNO/c1-16(19,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)18-15/h2-9,15,18-19H,10H2,1H3
InChIKeyXPCKJDVYIBZJDT-UHFFFAOYSA-N
MW257.31 g/mol
LogP3.07
Rot. Bonds2

About 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol

1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol (PubChem CID 65042584) has the molecular formula C16H16FNO and a molecular weight of 257.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
PubChem CID65042584
Molecular FormulaC16H16FNO
Molecular Weight257.31 g/mol
Exact Mass257.12
IUPAC Name1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol
SMILESCC(O)(c1ccc(F)cc1)C1Cc2ccccc2N1
InChIInChI=1S/C16H16FNO/c1-16(19,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)18-15/h2-9,15,18-19H,10H2,1H3
InChIKeyXPCKJDVYIBZJDT-UHFFFAOYSA-N
XLogP3.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.31
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol?
The IUPAC name of 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol (CID 65042584) is 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol.
What is the SMILES notation for 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol?
The canonical SMILES for 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol is CC(O)(c1ccc(F)cc1)C1Cc2ccccc2N1.
What is the InChIKey of 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol?
The InChIKey is XPCKJDVYIBZJDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO/c1-16(19,12-6-8-13(17)9-7-12)15-10-11-4-2-3-5-14(11)18-15/h2-9,15,18-19H,10H2,1H3.
What are the key properties of 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol?
1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol has a molecular weight of 257.31 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-indol-2-yl)-1-(4-fluorophenyl)ethanol is sourced from PubChem (CID 65042584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).