[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate

C22H16F2O3 — CID 7809464

IUPAC[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
SMILESO=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H16F2O3/c23-19-11-10-17(13-20(19)24)21(25)14-27-22(26)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2
InChIKeyBGGMXNYLBWPMLP-UHFFFAOYSA-N
MW366.36 g/mol
LogP4.60
Rot. Bonds6

About [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate

[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate (PubChem CID 7809464) has the molecular formula C22H16F2O3 and a molecular weight of 366.36 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
PubChem CID7809464
Molecular FormulaC22H16F2O3
Molecular Weight366.36 g/mol
Exact Mass366.11
IUPAC Name[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate
SMILESO=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H16F2O3/c23-19-11-10-17(13-20(19)24)21(25)14-27-22(26)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2
InChIKeyBGGMXNYLBWPMLP-UHFFFAOYSA-N
XLogP4.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[2-(6-methoxynaphthalen-2-yl)-2-oxoethyl] 2-benzylbenzoate
CID 23988356
[2-oxo-2-(3,4,5-trimethoxyphenyl)ethyl] 2-benzylbenzoate
CID 16528099
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-(phenoxymethyl)benzoate
CID 7239747
[2-(methylamino)-2-oxoethyl] 2-benzylbenzoate
CID 18074052
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484413
[2-(3,4-difluorophenyl)-2-oxoethyl] 4-hydroxybenzoate
CID 2624761
[2-(3,5-dichloroanilino)-2-oxoethyl] 2-benzylbenzoate
CID 2334993
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-(4-chlorophenyl)quinoline-4-carboxylate
CID 2114772
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]benzoate
CID 46530154
[3,5-bis(bromomethyl)phenyl]methyl 2-benzylbenzoate
CID 102160109
[2-(3,4-dimethoxyphenyl)-2-oxoethyl] 2-fluorobenzoate
CID 2511319

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate?
The IUPAC name of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate (CID 7809464) is [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate.
What is the SMILES notation for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate?
The canonical SMILES for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate is O=C(COC(=O)c1ccccc1Cc1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate?
The InChIKey is BGGMXNYLBWPMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2O3/c23-19-11-10-17(13-20(19)24)21(25)14-27-22(26)18-9-5-4-8-16(18)12-15-6-2-1-3-7-15/h1-11,13H,12,14H2.
What are the key properties of [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate?
[2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate has a molecular weight of 366.36 g/mol, XLogP of 4.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-2-oxoethyl] 2-benzylbenzoate is sourced from PubChem (CID 7809464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).