methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate

C25H22FNO3 — CID 22559002

IUPACmethyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(F)cc2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C25H22FNO3/c1-29-25(28)11-5-17-4-10-24(30-16-18-2-7-21(26)8-3-18)22(14-17)19-6-9-23-20(15-19)12-13-27-23/h2-4,6-10,12-15,27H,5,11,16H2,1H3
InChIKeyYHLOSERZCOKVMT-UHFFFAOYSA-N
MW403.45 g/mol
LogP5.66
Rot. Bonds7

About methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate

methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate (PubChem CID 22559002) has the molecular formula C25H22FNO3 and a molecular weight of 403.45 g/mol. Its IUPAC name is methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate
PubChem CID22559002
Molecular FormulaC25H22FNO3
Molecular Weight403.45 g/mol
Exact Mass403.16
IUPAC Namemethyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate
SMILESCOC(=O)CCc1ccc(OCc2ccc(F)cc2)c(-c2ccc3[nH]ccc3c2)c1
InChIInChI=1S/C25H22FNO3/c1-29-25(28)11-5-17-4-10-24(30-16-18-2-7-21(26)8-3-18)22(14-17)19-6-9-23-20(15-19)12-13-27-23/h2-4,6-10,12-15,27H,5,11,16H2,1H3
InChIKeyYHLOSERZCOKVMT-UHFFFAOYSA-N
XLogP5.66
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.45
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate with MolForge

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Related Compounds

methyl 3-[4-(2-bicyclo[2.2.1]heptanylmethoxy)-3-(1H-indol-5-yl)phenyl]propanoate
CID 22558753
3-[3-(1H-indol-5-yl)-4-[(2-methylphenyl)methoxy]phenyl]propanoic acid
CID 10237427
methyl 3-[4-[(2-fluorophenyl)methoxy]-3-naphthalen-2-ylphenyl]propanoate
CID 10287758
3-[4-[2-(2-fluorophenyl)ethoxy]-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 10126771
ethyl 3-[4-hydroxy-3-(1H-indol-5-yl)-5-methoxyphenyl]propanoate
CID 22558987
methyl 7-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]heptanoate
CID 139937357
methyl 3-[4-(4-fluorophenyl)phenyl]propanoate
CID 67181950
3-[4-cycloheptyloxy-3-(1H-indol-5-yl)phenyl]propanoic acid
CID 22558657
3-[3-(1H-indol-5-yl)-4-(3-methylcyclopentyl)oxyphenyl]propanoic acid
CID 22559146
3-[3-(1H-indol-5-yl)-4-[2-(1H-indol-3-yl)ethoxy]phenyl]propanoic acid
CID 22559152
ethyl 3-(1H-indol-5-yl)propanoate
CID 73357468
methyl 2-(1H-indol-5-yl)acetate
CID 43831379

Frequently Asked Questions

What is the IUPAC name of methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate?
The IUPAC name of methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate (CID 22559002) is methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate.
What is the SMILES notation for methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate?
The canonical SMILES for methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate is COC(=O)CCc1ccc(OCc2ccc(F)cc2)c(-c2ccc3[nH]ccc3c2)c1.
What is the InChIKey of methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate?
The InChIKey is YHLOSERZCOKVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FNO3/c1-29-25(28)11-5-17-4-10-24(30-16-18-2-7-21(26)8-3-18)22(14-17)19-6-9-23-20(15-19)12-13-27-23/h2-4,6-10,12-15,27H,5,11,16H2,1H3.
What are the key properties of methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate?
methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate has a molecular weight of 403.45 g/mol, XLogP of 5.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[4-[(4-fluorophenyl)methoxy]-3-(1H-indol-5-yl)phenyl]propanoate is sourced from PubChem (CID 22559002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).