2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone

C17H14FNO2 — CID 83164264

IUPAC2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2[nH]cc(C(=O)Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H14FNO2/c1-21-16-4-2-3-14-17(16)13(10-19-14)15(20)9-11-5-7-12(18)8-6-11/h2-8,10,19H,9H2,1H3
InChIKeySSXRBJPPNAYETB-UHFFFAOYSA-N
MW283.30 g/mol
LogP3.74
Rot. Bonds4

About 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone

2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone (PubChem CID 83164264) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
PubChem CID83164264
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone
SMILESCOc1cccc2[nH]cc(C(=O)Cc3ccc(F)cc3)c12
InChIInChI=1S/C17H14FNO2/c1-21-16-4-2-3-14-17(16)13(10-19-14)15(20)9-11-5-7-12(18)8-6-11/h2-8,10,19H,9H2,1H3
InChIKeySSXRBJPPNAYETB-UHFFFAOYSA-N
XLogP3.74
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-methoxy-1H-indol-3-yl)butan-1-one
CID 83163491
(3,5-difluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164240
2-[2-(4-methoxy-1H-indol-3-yl)-2-oxoethoxy]acetic acid
CID 83162648
1-(4-methoxy-1H-indol-3-yl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206823
methyl 2-(4-methoxy-1H-indol-3-yl)-2-oxoacetate
CID 53419524
(2-amino-5-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83166276
1-(4-fluoro-1H-indol-3-yl)-2-phenylethanone
CID 82792772
2-(4-fluorophenyl)-1-(1H-indol-3-yl)ethanone
CID 43339236
(3-bromo-2-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 107950032
2-(4-methoxy-1H-indol-3-yl)-N,N-dimethyl-2-oxoacetamide
CID 166169676
(2-chloro-6-fluorophenyl)-(4-methoxy-1H-indol-3-yl)methanone
CID 83164227
1-(2-fluoro-3-methoxyphenyl)-2-(4-methylphenyl)ethanone
CID 82808065

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone (CID 83164264) is 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone is COc1cccc2[nH]cc(C(=O)Cc3ccc(F)cc3)c12.
What is the InChIKey of 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone?
The InChIKey is SSXRBJPPNAYETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-21-16-4-2-3-14-17(16)13(10-19-14)15(20)9-11-5-7-12(18)8-6-11/h2-8,10,19H,9H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone?
2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone has a molecular weight of 283.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-(4-methoxy-1H-indol-3-yl)ethanone is sourced from PubChem (CID 83164264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).