5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid

C21H19FO4 — CID 24784779

IUPAC5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cccc(OCCc3ccc(F)cc3)c2)o1
InChIInChI=1S/C21H19FO4/c22-17-7-4-15(5-8-17)12-13-25-19-3-1-2-16(14-19)6-9-18-10-11-20(26-18)21(23)24/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,23,24)
InChIKeyGCSJWQXDNCCLCW-UHFFFAOYSA-N
MW354.38 g/mol
LogP4.52
Rot. Bonds8

About 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid

5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid (PubChem CID 24784779) has the molecular formula C21H19FO4 and a molecular weight of 354.38 g/mol. Its IUPAC name is 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid
PubChem CID24784779
Molecular FormulaC21H19FO4
Molecular Weight354.38 g/mol
Exact Mass354.13
IUPAC Name5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(CCc2cccc(OCCc3ccc(F)cc3)c2)o1
InChIInChI=1S/C21H19FO4/c22-17-7-4-15(5-8-17)12-13-25-19-3-1-2-16(14-19)6-9-18-10-11-20(26-18)21(23)24/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,23,24)
InChIKeyGCSJWQXDNCCLCW-UHFFFAOYSA-N
XLogP4.52
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(3-fluorophenyl)methyl]furan-2-carboxylic acid
CID 83641773
3-[3-[2-(3-fluorophenoxy)ethoxy]phenyl]propanoic acid
CID 142194169
5-(4-phenylbutyl)furan-2-carboxylic acid
CID 86713049
6-[3-(2-phenylethoxy)phenyl]hexanoic acid
CID 139921744
5-[[3-(2-aminoethylamino)phenoxy]methyl]furan-2-carboxylic acid
CID 117097680
(2R)-2-[3-[2-(4-fluorophenoxy)ethyl]phenoxy]propanamide
CID 97132336
5-[[5-chloro-2-(2-phenylethoxy)phenyl]methyl]furan-2-carboxylic acid
CID 15604735
4-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]ethylamino]-4-oxobutanoic acid
CID 22683551
1-(2-bromoethyl)-3-[3-(4-fluorophenoxy)propoxy]benzene
CID 19755708
3-(2-phenylethoxy)benzamide
CID 17135006
3-(2-naphthalen-2-ylethoxy)benzoic acid
CID 139922082
5-[4-(3-methylphenoxy)butylsulfinylmethyl]furan-2-carboxylic acid
CID 123122722

Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid?
The IUPAC name of 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid (CID 24784779) is 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid is O=C(O)c1ccc(CCc2cccc(OCCc3ccc(F)cc3)c2)o1.
What is the InChIKey of 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid?
The InChIKey is GCSJWQXDNCCLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FO4/c22-17-7-4-15(5-8-17)12-13-25-19-3-1-2-16(14-19)6-9-18-10-11-20(26-18)21(23)24/h1-5,7-8,10-11,14H,6,9,12-13H2,(H,23,24).
What are the key properties of 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid?
5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid has a molecular weight of 354.38 g/mol, XLogP of 4.52, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-[2-(4-fluorophenyl)ethoxy]phenyl]ethyl]furan-2-carboxylic acid is sourced from PubChem (CID 24784779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).