[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

C23H19FO5 — CID 8675785

IUPAC[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C23H19FO5/c24-19-8-4-7-18(13-19)22(25)15-29-23(26)16-28-21-11-9-20(10-12-21)27-14-17-5-2-1-3-6-17/h1-13H,14-16H2
InChIKeyRFYYNNCHGRQNBZ-UHFFFAOYSA-N
MW394.40 g/mol
LogP4.21
Rot. Bonds9

About [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate

[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (PubChem CID 8675785) has the molecular formula C23H19FO5 and a molecular weight of 394.40 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
PubChem CID8675785
Molecular FormulaC23H19FO5
Molecular Weight394.40 g/mol
Exact Mass394.12
IUPAC Name[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
SMILESO=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1cccc(F)c1
InChIInChI=1S/C23H19FO5/c24-19-8-4-7-18(13-19)22(25)15-29-23(26)16-28-21-11-9-20(10-12-21)27-14-17-5-2-1-3-6-17/h1-13H,14-16H2
InChIKeyRFYYNNCHGRQNBZ-UHFFFAOYSA-N
XLogP4.21
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 2429143
N-[(E)-1-(3-fluorophenyl)ethylideneamino]-2-(4-phenylmethoxyphenoxy)acetamide
CID 18285959
benzyl 2-(4-benzoylphenoxy)acetate
CID 7839644
[2-oxo-2-(3-oxo-4H-1,4-benzoxazin-6-yl)ethyl] 2-(4-phenylmethoxyphenoxy)acetate
CID 23826669
[2-(3-bromophenyl)-2-oxoethyl] 2-(4-bromophenoxy)acetate
CID 23856812
1-(3-fluorophenyl)-2-(4-propan-2-ylphenoxy)ethanone
CID 43612544
1-[3-[(3-fluorophenyl)methoxy]phenyl]-3-phenylpropan-1-one
CID 146006671
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-phenylmethoxybenzoate
CID 7547952
[2-(3-fluorophenyl)-2-oxoethyl] 4-benzoylbenzoate
CID 8676222
benzyl 2-[4-(2-aminoacetyl)phenoxy]acetate
CID 67246007
[2-(4-fluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7625196
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The IUPAC name of [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate (CID 8675785) is [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate.
What is the SMILES notation for [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The canonical SMILES for [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is O=C(COc1ccc(OCc2ccccc2)cc1)OCC(=O)c1cccc(F)c1.
What is the InChIKey of [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
The InChIKey is RFYYNNCHGRQNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FO5/c24-19-8-4-7-18(13-19)22(25)15-29-23(26)16-28-21-11-9-20(10-12-21)27-14-17-5-2-1-3-6-17/h1-13H,14-16H2.
What are the key properties of [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate?
[2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate has a molecular weight of 394.40 g/mol, XLogP of 4.21, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-2-oxoethyl] 2-(4-phenylmethoxyphenoxy)acetate is sourced from PubChem (CID 8675785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).