[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol

C16H14FNO2 — CID 142453808

IUPAC[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol
SMILESCn1c(CO)cc2c(Oc3ccc(F)cc3)cccc21
InChIInChI=1S/C16H14FNO2/c1-18-12(10-19)9-14-15(18)3-2-4-16(14)20-13-7-5-11(17)6-8-13/h2-9,19H,10H2,1H3
InChIKeyTZEULUSPBYUYRZ-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.60
Rot. Bonds3

About [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol

[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol (PubChem CID 142453808) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol.

Molecular Properties

Compound Name[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol
PubChem CID142453808
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol
SMILESCn1c(CO)cc2c(Oc3ccc(F)cc3)cccc21
InChIInChI=1S/C16H14FNO2/c1-18-12(10-19)9-14-15(18)3-2-4-16(14)20-13-7-5-11(17)6-8-13/h2-9,19H,10H2,1H3
InChIKeyTZEULUSPBYUYRZ-UHFFFAOYSA-N
XLogP3.60
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.29
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol?
The IUPAC name of [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol (CID 142453808) is [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol.
What is the SMILES notation for [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol?
The canonical SMILES for [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol is Cn1c(CO)cc2c(Oc3ccc(F)cc3)cccc21.
What is the InChIKey of [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol?
The InChIKey is TZEULUSPBYUYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-18-12(10-19)9-14-15(18)3-2-4-16(14)20-13-7-5-11(17)6-8-13/h2-9,19H,10H2,1H3.
What are the key properties of [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol?
[4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol has a molecular weight of 271.29 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenoxy)-1-methylindol-2-yl]methanol is sourced from PubChem (CID 142453808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).