4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole

C15H11ClFNO — CID 117171335

IUPAC4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
SMILESFc1cccc(OCc2c[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C15H11ClFNO/c16-13-5-2-6-14-15(13)10(8-18-14)9-19-12-4-1-3-11(17)7-12/h1-8,18H,9H2
InChIKeyAMIJILGIHOMSCA-UHFFFAOYSA-N
MW275.71 g/mol
LogP4.54
Rot. Bonds3

About 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole

4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole (PubChem CID 117171335) has the molecular formula C15H11ClFNO and a molecular weight of 275.71 g/mol. Its IUPAC name is 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole.

Molecular Properties

Compound Name4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
PubChem CID117171335
Molecular FormulaC15H11ClFNO
Molecular Weight275.71 g/mol
Exact Mass275.05
IUPAC Name4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole
SMILESFc1cccc(OCc2c[nH]c3cccc(Cl)c23)c1
InChIInChI=1S/C15H11ClFNO/c16-13-5-2-6-14-15(13)10(8-18-14)9-19-12-4-1-3-11(17)7-12/h1-8,18H,9H2
InChIKeyAMIJILGIHOMSCA-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

4-fluoro-3-[(4-fluorophenoxy)methyl]-1H-indole
CID 117171394
4-chloro-2-[(3-fluorophenoxy)methyl]-1H-indole
CID 117173296
3-[(4-fluorophenoxy)methyl]-1H-indol-4-amine
CID 117171388
6-fluoro-3-[(3-methylphenoxy)methyl]-1H-indole
CID 117178472
3-[(3-bromophenoxy)methyl]-1H-indol-4-ol
CID 117171332
3-[(5-fluoro-1H-indol-3-yl)methoxy]phenol
CID 117175120
2-(4-chloro-1H-indol-3-yl)ethanone;yttrium
CID 166553982
2-chloro-1-fluoro-4-[(3-fluorophenoxy)methyl]benzene
CID 103041739
1-chloro-3-[[3-(chloromethyl)phenoxy]methyl]-2-fluorobenzene
CID 102856363
3-chloro-4-[(3-fluorophenoxy)methyl]benzenecarbothioamide
CID 102666491
2-[(3-chlorophenoxy)methyl]-1,4-difluorobenzene
CID 60975597
2-chloro-1-[[3-[[3-[(2-chloro-4-fluorophenyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]-4-fluorobenzene
CID 155776367

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole?
The IUPAC name of 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole (CID 117171335) is 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole.
What is the SMILES notation for 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole?
The canonical SMILES for 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole is Fc1cccc(OCc2c[nH]c3cccc(Cl)c23)c1.
What is the InChIKey of 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole?
The InChIKey is AMIJILGIHOMSCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO/c16-13-5-2-6-14-15(13)10(8-18-14)9-19-12-4-1-3-11(17)7-12/h1-8,18H,9H2.
What are the key properties of 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole?
4-chloro-3-[(3-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 4-chloro-3-[(3-fluorophenoxy)methyl]-1H-indole is sourced from PubChem (CID 117171335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).