(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate

C21H14ClFO3 — CID 1294400

IUPAC(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H14ClFO3/c22-18-11-6-12-19(23)17(18)13-26-21(25)16-10-5-4-9-15(16)20(24)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyWZKVFMJAWLDTCI-UHFFFAOYSA-N
MW368.79 g/mol
LogP5.07
Rot. Bonds5

About (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate

(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate (PubChem CID 1294400) has the molecular formula C21H14ClFO3 and a molecular weight of 368.79 g/mol. Its IUPAC name is (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate.

Molecular Properties

Compound Name(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
PubChem CID1294400
Molecular FormulaC21H14ClFO3
Molecular Weight368.79 g/mol
Exact Mass368.06
IUPAC Name(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate
SMILESO=C(OCc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C21H14ClFO3/c22-18-11-6-12-19(23)17(18)13-26-21(25)16-10-5-4-9-15(16)20(24)14-7-2-1-3-8-14/h1-12H,13H2
InChIKeyWZKVFMJAWLDTCI-UHFFFAOYSA-N
XLogP5.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.79
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-O-[(2-chloro-6-fluorophenyl)methyl] 1-O-methyl benzene-1,2-dicarboxylate
CID 56504991
(2-chloro-6-fluorophenyl)methyl naphthalene-1-carboxylate
CID 954125
2-[(2,6-dichlorophenyl)methoxycarbonyl]benzoic acid
CID 4126924
(2-chloro-6-fluorophenyl)methyl 4-benzamidobenzoate
CID 1293916
(2-chloro-6-fluorophenyl)methyl 2,3,4,5,6-pentafluorobenzoate
CID 91742427
benzyl 2-(4-chlorobenzoyl)benzoate
CID 2375754
(2-chloro-6-fluorophenyl)methyl 2-benzamidoacetate
CID 954138
(2-chloro-6-fluorophenyl)methyl 2-amino-6-chlorobenzoate
CID 63661844
2-(2-chlorophenoxy)ethyl 2-benzoylbenzoate
CID 7865480
(2-chloro-6-fluorophenyl)methyl 5-chloro-2-nitrobenzoate
CID 2602590
(2-amino-6-chlorophenyl)methyl benzoate
CID 134095061
phenacyl 2-(4-chlorobenzoyl)benzoate
CID 2586328

Frequently Asked Questions

What is the IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate?
The IUPAC name of (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate (CID 1294400) is (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate.
What is the SMILES notation for (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate?
The canonical SMILES for (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate is O=C(OCc1c(F)cccc1Cl)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate?
The InChIKey is WZKVFMJAWLDTCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14ClFO3/c22-18-11-6-12-19(23)17(18)13-26-21(25)16-10-5-4-9-15(16)20(24)14-7-2-1-3-8-14/h1-12H,13H2.
What are the key properties of (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate?
(2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate has a molecular weight of 368.79 g/mol, XLogP of 5.07, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-6-fluorophenyl)methyl 2-benzoylbenzoate is sourced from PubChem (CID 1294400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).