ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate

C20H23FO3 — CID 130351126

IUPACethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2ccc(C(C)F)cc2)cc1
InChIInChI=1S/C20H23FO3/c1-3-23-20(22)13-8-16-6-11-19(12-7-16)24-14-17-4-9-18(10-5-17)15(2)21/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyGSTBKUGMDRAVGK-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.79
Rot. Bonds8

About ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate

ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate (PubChem CID 130351126) has the molecular formula C20H23FO3 and a molecular weight of 330.40 g/mol. Its IUPAC name is ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate.

Molecular Properties

Compound Nameethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate
PubChem CID130351126
Molecular FormulaC20H23FO3
Molecular Weight330.40 g/mol
Exact Mass330.16
IUPAC Nameethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate
SMILESCCOC(=O)CCc1ccc(OCc2ccc(C(C)F)cc2)cc1
InChIInChI=1S/C20H23FO3/c1-3-23-20(22)13-8-16-6-11-19(12-7-16)24-14-17-4-9-18(10-5-17)15(2)21/h4-7,9-12,15H,3,8,13-14H2,1-2H3
InChIKeyGSTBKUGMDRAVGK-UHFFFAOYSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-[4-(2-aminoethoxy)phenyl]propanoate;hydrochloride
CID 162639918
ethyl 3-[4-[(2R)-2-(cyclodecapentaenyl)-2-hydroxyethoxy]phenyl]propanoate
CID 144781228
ethyl 3-[4-(5-aminopentoxy)phenyl]propanoate
CID 162639923
methyl 3-[4-[(4-aminophenyl)methoxy]phenyl]propanoate
CID 23143251
ethyl 2-oxo-4-(4-phenylmethoxyphenyl)butanoate
CID 19903100
[4-(3-ethoxy-3-oxopropyl)phenoxy]boronic acid
CID 67296509
ethyl 3-[4-(methylaminomethyl)phenyl]propanoate
CID 164606778
ethyl (3S)-3-amino-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171230805
ethyl (3S)-3-[4-[[4-[(1S)-1-hydroxyethyl]phenyl]methoxy]phenyl]hex-4-ynoate
CID 140699239
ethyl 3-[4-(2-hydroxyethyl)phenoxy]propanoate
CID 86193635
ethyl (3S)-3-amino-2-fluoro-3-(4-phenylmethoxyphenyl)propanoate;hydrochloride
CID 171250179
ethyl 3-(4-butylphenoxy)propanoate
CID 115492144

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate?
The IUPAC name of ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate (CID 130351126) is ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate.
What is the SMILES notation for ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate?
The canonical SMILES for ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate is CCOC(=O)CCc1ccc(OCc2ccc(C(C)F)cc2)cc1.
What is the InChIKey of ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate?
The InChIKey is GSTBKUGMDRAVGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FO3/c1-3-23-20(22)13-8-16-6-11-19(12-7-16)24-14-17-4-9-18(10-5-17)15(2)21/h4-7,9-12,15H,3,8,13-14H2,1-2H3.
What are the key properties of ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate?
ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate has a molecular weight of 330.40 g/mol, XLogP of 4.79, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[4-[[4-(1-fluoroethyl)phenyl]methoxy]phenyl]propanoate is sourced from PubChem (CID 130351126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).