4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol

C18H18FNO2 — CID 117179041

IUPAC4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccc(O)cc2)c2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-10-13(17-8-3-14(19)9-18(17)20)11-22-16-6-4-15(21)5-7-16/h3-10,12,21H,11H2,1-2H3
InChIKeySYMYHUUWXDACQX-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.65
Rot. Bonds4

About 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol

4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol (PubChem CID 117179041) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol.

Molecular Properties

Compound Name4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
PubChem CID117179041
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
SMILESCC(C)n1cc(COc2ccc(O)cc2)c2ccc(F)cc21
InChIInChI=1S/C18H18FNO2/c1-12(2)20-10-13(17-8-3-14(19)9-18(17)20)11-22-16-6-4-15(21)5-7-16/h3-10,12,21H,11H2,1-2H3
InChIKeySYMYHUUWXDACQX-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 ≤ 500299.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117179005
3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
(6-fluoro-1-propan-2-ylindol-3-yl)methanethiol
CID 117179135
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
4-[[6-(aminomethyl)-1-methylindol-3-yl]methoxy]phenol
CID 117178289
1-propan-2-yl-3-(pyridin-3-yloxymethyl)indol-5-ol
CID 117175660
1-propan-2-yl-3-(propan-2-ylsulfanylmethyl)indol-6-ol
CID 117179103
1-propan-2-yl-3-[(propan-2-ylamino)methyl]indol-6-ol
CID 117179101
3-(phenoxymethyl)-1-propan-2-ylindole-5-carboxylic acid
CID 117175773

Frequently Asked Questions

What is the IUPAC name of 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The IUPAC name of 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol (CID 117179041) is 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol.
What is the SMILES notation for 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The canonical SMILES for 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol is CC(C)n1cc(COc2ccc(O)cc2)c2ccc(F)cc21.
What is the InChIKey of 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
The InChIKey is SYMYHUUWXDACQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-12(2)20-10-13(17-8-3-14(19)9-18(17)20)11-22-16-6-4-15(21)5-7-16/h3-10,12,21H,11H2,1-2H3.
What are the key properties of 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol?
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol has a molecular weight of 299.35 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 4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol is sourced from PubChem (CID 117179041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).