6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole

C19H20FNO2 — CID 117179005

IUPAC6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1cccc(OCc2cn(C(C)C)c3cc(F)ccc23)c1
InChIInChI=1S/C19H20FNO2/c1-13(2)21-11-14(18-8-7-15(20)9-19(18)21)12-23-17-6-4-5-16(10-17)22-3/h4-11,13H,12H2,1-3H3
InChIKeyZYZLJFVLXKOMIM-UHFFFAOYSA-N
MW313.37 g/mol
LogP4.95
Rot. Bonds5

About 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole

6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole (PubChem CID 117179005) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole.

Molecular Properties

Compound Name6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
PubChem CID117179005
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Name6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole
SMILESCOc1cccc(OCc2cn(C(C)C)c3cc(F)ccc23)c1
InChIInChI=1S/C19H20FNO2/c1-13(2)21-11-14(18-8-7-15(20)9-19(18)21)12-23-17-6-4-5-16(10-17)22-3/h4-11,13H,12H2,1-3H3
InChIKeyZYZLJFVLXKOMIM-UHFFFAOYSA-N
XLogP4.95
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 54.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole 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

3-[(3-fluorophenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178985
4-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179041
2-[(6-fluoro-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117178967
3-[(6-amino-1-propan-2-ylindol-3-yl)methoxy]phenol
CID 117179000
6-fluoro-1-methyl-3-(phenoxymethyl)indole
CID 117178420
5-fluoro-2-[(3-methoxyphenoxy)methyl]aniline
CID 64769606
4-fluoro-3-[(4-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171977
3-[(3-methoxyphenoxy)methyl]-1-methylindole-6-carboxylic acid
CID 117178696
3-[(2-methoxyphenoxy)methyl]-1-propan-2-ylindole
CID 117171875
3-[(2-methylphenoxy)methyl]-1-propan-2-ylindol-6-amine
CID 117178937
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
6-fluoro-1-methyl-3-[(4-methylphenoxy)methyl]indole
CID 117178524

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The IUPAC name of 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole (CID 117179005) is 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole.
What is the SMILES notation for 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The canonical SMILES for 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole is COc1cccc(OCc2cn(C(C)C)c3cc(F)ccc23)c1.
What is the InChIKey of 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole?
The InChIKey is ZYZLJFVLXKOMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c1-13(2)21-11-14(18-8-7-15(20)9-19(18)21)12-23-17-6-4-5-16(10-17)22-3/h4-11,13H,12H2,1-3H3.
What are the key properties of 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole?
6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole has a molecular weight of 313.37 g/mol, XLogP of 4.95, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-3-[(3-methoxyphenoxy)methyl]-1-propan-2-ylindole is sourced from PubChem (CID 117179005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).