2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol

C16H14FNO2 — CID 117176717

IUPAC2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
SMILESCn1c(COc2ccccc2F)cc2cc(O)ccc21
InChIInChI=1S/C16H14FNO2/c1-18-12(8-11-9-13(19)6-7-15(11)18)10-20-16-5-3-2-4-14(16)17/h2-9,19H,10H2,1H3
InChIKeyAMJRJUGNTWUXLG-UHFFFAOYSA-N
MW271.29 g/mol
LogP3.60
Rot. Bonds3

About 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol

2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol (PubChem CID 117176717) has the molecular formula C16H14FNO2 and a molecular weight of 271.29 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
PubChem CID117176717
Molecular FormulaC16H14FNO2
Molecular Weight271.29 g/mol
Exact Mass271.10
IUPAC Name2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
SMILESCn1c(COc2ccccc2F)cc2cc(O)ccc21
InChIInChI=1S/C16H14FNO2/c1-18-12(8-11-9-13(19)6-7-15(11)18)10-20-16-5-3-2-4-14(16)17/h2-9,19H,10H2,1H3
InChIKeyAMJRJUGNTWUXLG-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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Related Compounds

2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180675
5-chloro-1-methyl-2-[(2-methylphenoxy)methyl]indole
CID 117176704
2-[(2-chlorophenoxy)methyl]-1-methylindol-5-amine
CID 117176716
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
[5-[(2-fluorophenoxy)methyl]-1-methylpyrrol-2-yl]methanamine
CID 105494358
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
1-methyl-2-(phenoxymethyl)indol-5-amine
CID 117176691
1-methyl-2-(propan-2-ylsulfanylmethyl)indol-5-ol
CID 117176891
[2-[(4-fluorophenoxy)methyl]-1-methylindol-5-yl]methanamine
CID 117176551
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol (CID 117176717) is 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol is Cn1c(COc2ccccc2F)cc2cc(O)ccc21.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol?
The InChIKey is AMJRJUGNTWUXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FNO2/c1-18-12(8-11-9-13(19)6-7-15(11)18)10-20-16-5-3-2-4-14(16)17/h2-9,19H,10H2,1H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol?
2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol 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 2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol is sourced from PubChem (CID 117176717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).