[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

C22H23FO4 — CID 23855632

IUPAC[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23FO4/c23-19-8-4-5-9-21(19)26-15-22(25)27-14-20(24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
InChIKeyKRKLANFQKHETOC-UHFFFAOYSA-N
MW370.42 g/mol
LogP4.68
Rot. Bonds7

About [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (PubChem CID 23855632) has the molecular formula C22H23FO4 and a molecular weight of 370.42 g/mol. Its IUPAC name is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.

Molecular Properties

Compound Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
PubChem CID23855632
Molecular FormulaC22H23FO4
Molecular Weight370.42 g/mol
Exact Mass370.16
IUPAC Name[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate
SMILESO=C(COc1ccccc1F)OCC(=O)c1ccc(C2CCCCC2)cc1
InChIInChI=1S/C22H23FO4/c23-19-8-4-5-9-21(19)26-15-22(25)27-14-20(24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2
InChIKeyKRKLANFQKHETOC-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.42
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(4-ethylphenoxy)acetate
CID 23931842
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,2-diphenylacetate
CID 4993605
[2-(4-cyclohexylphenyl)-2-oxoethyl] 3-acetamidopropanoate
CID 7197417
(2-oxo-2-pyrrolidin-1-ylethyl) 2-(2-fluorophenoxy)acetate
CID 23885124
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-thiophen-3-ylacetate
CID 23735027
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18289518
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2,3-dimethoxybenzoate
CID 7042563
2-(3-aminophenoxy)-1-(4-cyclohexylphenyl)ethanone
CID 46307497
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-[[2-[[2-(phenylmethoxycarbonylamino)acetyl]amino]acetyl]amino]acetate
CID 126010381
1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206467
4-O-[2-(4-cyclohexylphenyl)-2-oxoethyl] 1-O-ethyl (E)-but-2-enedioate
CID 6066141
(4-tert-butylcyclohexyl) 2-(2-fluorophenoxy)acetate
CID 2426701

Frequently Asked Questions

What is the IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The IUPAC name of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate (CID 23855632) is [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate.
What is the SMILES notation for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The canonical SMILES for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is O=C(COc1ccccc1F)OCC(=O)c1ccc(C2CCCCC2)cc1.
What is the InChIKey of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
The InChIKey is KRKLANFQKHETOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FO4/c23-19-8-4-5-9-21(19)26-15-22(25)27-14-20(24)18-12-10-17(11-13-18)16-6-2-1-3-7-16/h4-5,8-13,16H,1-3,6-7,14-15H2.
What are the key properties of [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate?
[2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate has a molecular weight of 370.42 g/mol, XLogP of 4.68, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-cyclohexylphenyl)-2-oxoethyl] 2-(2-fluorophenoxy)acetate is sourced from PubChem (CID 23855632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).