2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol

C18H18FNO2 — CID 117180675

IUPAC2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(COc2ccccc2F)cc2ccc(O)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-14(9-13-7-8-15(21)10-17(13)20)11-22-18-6-4-3-5-16(18)19/h3-10,12,21H,11H2,1-2H3
InChIKeyVSTBEVGESMPBAB-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.65
Rot. Bonds4

About 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol

2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol (PubChem CID 117180675) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol.

Molecular Properties

Compound Name2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol
PubChem CID117180675
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol
SMILESCC(C)n1c(COc2ccccc2F)cc2ccc(O)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-14(9-13-7-8-15(21)10-17(13)20)11-22-18-6-4-3-5-16(18)19/h3-10,12,21H,11H2,1-2H3
InChIKeyVSTBEVGESMPBAB-UHFFFAOYSA-N
XLogP4.65
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-hydroxyphenoxy)methyl]-1-propan-2-ylindol-6-ol
CID 117180764
3-[(6-fluoro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180729
2-[(2-fluorophenoxy)methyl]-1-methylindol-5-ol
CID 117176717
6-chloro-2-[(2-methylphenoxy)methyl]-1-propan-2-ylindole
CID 117180665
3-[(6-chloro-1-propan-2-ylindol-2-yl)methoxy]phenol
CID 117180731
3-(6-hydroxy-1-propan-2-ylindol-2-yl)-2,2-dimethylpropanoic acid
CID 117196091
3-fluoro-4-[(2-fluorophenoxy)methyl]phenol
CID 117219499
2-[(4-methylpiperazin-1-yl)methyl]-1-propan-2-ylindol-6-ol
CID 117180622
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148
N'-[2-(2-fluorophenoxy)acetyl]-2,5-dimethyl-1-propan-2-ylpyrrole-3-carbohydrazide
CID 9471920
2-[(3-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117180699

Frequently Asked Questions

What is the IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol?
The IUPAC name of 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol (CID 117180675) is 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol.
What is the SMILES notation for 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol?
The canonical SMILES for 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol is CC(C)n1c(COc2ccccc2F)cc2ccc(O)cc21.
What is the InChIKey of 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol?
The InChIKey is VSTBEVGESMPBAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(2)20-14(9-13-7-8-15(21)10-17(13)20)11-22-18-6-4-3-5-16(18)19/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol?
2-[(2-fluorophenoxy)methyl]-1-propan-2-ylindol-6-ol has a molecular weight of 299.34 g/mol, XLogP of 4.65, 4 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-propan-2-ylindol-6-ol is sourced from PubChem (CID 117180675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).