4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole

C16H13ClFNO — CID 117173307

IUPAC4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2cccc(F)c2)cc2c(Cl)cccc21
InChIInChI=1S/C16H13ClFNO/c1-19-12(9-14-15(17)6-3-7-16(14)19)10-20-13-5-2-4-11(18)8-13/h2-9H,10H2,1H3
InChIKeyRIEGVQASKFYQOZ-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.55
Rot. Bonds3

About 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole

4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole (PubChem CID 117173307) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole.

Molecular Properties

Compound Name4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
PubChem CID117173307
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole
SMILESCn1c(COc2cccc(F)c2)cc2c(Cl)cccc21
InChIInChI=1S/C16H13ClFNO/c1-19-12(9-14-15(17)6-3-7-16(14)19)10-20-13-5-2-4-11(18)8-13/h2-9H,10H2,1H3
InChIKeyRIEGVQASKFYQOZ-UHFFFAOYSA-N
XLogP4.55
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole 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

4-fluoro-2-[(3-fluorophenoxy)methyl]-1-methylindole
CID 117173305
4-[(4-chloro-1-methylindol-2-yl)methoxy]phenol
CID 117173387
4-chloro-2-[(2-methoxyphenoxy)methyl]-1-methylindole
CID 117173268
4-chloro-2-(ethoxymethyl)-1-methylindole
CID 117173476
2-[(3-chlorophenoxy)methyl]-5-fluoro-1-methylindole
CID 117176767
(4-chloro-1-methylindol-2-yl)methanamine
CID 82657147
(4-chloro-1-methylindol-2-yl)methanethiol
CID 117173500
2-[(4-chlorophenoxy)methyl]-1,4-dimethylindole
CID 117184865
5-chloro-2-[(3-chlorophenoxy)methyl]-1-methylindole
CID 117176769
8-chloro-3-[(3-fluorophenoxy)methyl]imidazo[1,2-a]pyridine
CID 117256832
4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173296
3-chloro-5-[(3-fluorophenoxy)methyl]-1-propan-2-ylindole
CID 141410898

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole?
The IUPAC name of 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole (CID 117173307) is 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole.
What is the SMILES notation for 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole?
The canonical SMILES for 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole is Cn1c(COc2cccc(F)c2)cc2c(Cl)cccc21.
What is the InChIKey of 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole?
The InChIKey is RIEGVQASKFYQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-19-12(9-14-15(17)6-3-7-16(14)19)10-20-13-5-2-4-11(18)8-13/h2-9H,10H2,1H3.
What are the key properties of 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole?
4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole has a molecular weight of 289.74 g/mol, XLogP of 4.55, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(3-fluorophenoxy)methyl]-1-methylindole is sourced from PubChem (CID 117173307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).