2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol

C18H18FNO2 — CID 117178967

IUPAC2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccccc2O)c2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-10-13(15-8-7-14(19)9-16(15)20)11-22-18-6-4-3-5-17(18)21/h3-10,12,21H,11H2,1-2H3
InChIKeyAPWCFSSJQKYFLO-UHFFFAOYSA-N
MW299.34 g/mol
LogP4.65
Rot. Bonds4

About 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol

2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol (PubChem CID 117178967) has the molecular formula C18H18FNO2 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
PubChem CID117178967
Molecular FormulaC18H18FNO2
Molecular Weight299.34 g/mol
Exact Mass299.13
IUPAC Name2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccccc2O)c2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-10-13(15-8-7-14(19)9-16(15)20)11-22-18-6-4-3-5-17(18)21/h3-10,12,21H,11H2,1-2H3
InChIKeyAPWCFSSJQKYFLO-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

4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
2-[(5-methyl-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117185196
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
(6-fluoro-1-propan-2-ylindol-3-yl)methanethiol
CID 117179135
2-[(1-ethyl-5-fluoroindol-3-yl)methoxy]phenol
CID 117175570
2-[(7-chloro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117182430
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103

Frequently Asked Questions

What is the IUPAC name of 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The IUPAC name of 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol (CID 117178967) is 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The canonical SMILES for 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol is CC(C)n1cc(COc2ccccc2O)c2ccc(F)cc21.
What is the InChIKey of 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The InChIKey is APWCFSSJQKYFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(2)20-10-13(15-8-7-14(19)9-16(15)20)11-22-18-6-4-3-5-17(18)21/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol 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-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117178967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).