5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole

C15H11ClFNO — CID 117176713

IUPAC5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
SMILESFc1ccccc1OCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H11ClFNO/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2
InChIKeyOCMRWSZMPVFIRP-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.54
Rot. Bonds3

About 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole

5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole (PubChem CID 117176713) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
PubChem CID117176713
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole
SMILESFc1ccccc1OCc1cc2cc(Cl)ccc2[nH]1
InChIInChI=1S/C15H11ClFNO/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2
InChIKeyOCMRWSZMPVFIRP-UHFFFAOYSA-N
XLogP4.54
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.71
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-fluorophenoxy)methyl]-1H-indol-6-ol
CID 117180148
2-[(2-fluorophenoxy)methyl]-6-methyl-1H-indole
CID 117185935
5-chloro-2-(ethoxymethyl)-1H-indole
CID 117176866
2-[[2-(trifluoromethyl)phenoxy]methyl]-1H-indole
CID 117173198
5-chloro-2-(propan-2-yloxymethyl)-1H-indole
CID 117176868
2,4-dichloro-1-[(2-fluorophenoxy)methyl]benzene
CID 60627817
4-[(2-bromophenoxy)methyl]-N-[(5-chloro-1H-indol-2-yl)methyl]benzamide
CID 997018
2-(bromomethyl)-5-chloro-1H-indole
CID 119086448
5-chloro-2-[(2-fluorophenoxy)methyl]aniline
CID 62102569
2-[(6-fluoro-1H-indol-2-yl)methoxy]phenol
CID 117180167
N-[(5-chloro-1H-indol-2-yl)methyl]-3-[(2-chlorophenoxy)methyl]-4-methoxybenzamide
CID 997399
5-(2,4-dichlorophenyl)-3-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 42692313

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole?
The IUPAC name of 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole (CID 117176713) is 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole.
What is the SMILES notation for 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole?
The canonical SMILES for 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole is Fc1ccccc1OCc1cc2cc(Cl)ccc2[nH]1.
What is the InChIKey of 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole?
The InChIKey is OCMRWSZMPVFIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-11-5-6-14-10(7-11)8-12(18-14)9-19-15-4-2-1-3-13(15)17/h1-8,18H,9H2.
What are the key properties of 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole?
5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole has a molecular weight of 275.71 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(2-fluorophenoxy)methyl]-1H-indole is sourced from PubChem (CID 117176713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).