[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate

C20H11Cl2FO3 — CID 7934693

IUPAC[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate
SMILESO=C(c1ccc(F)cc1)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H11Cl2FO3/c21-14-5-10-18(22)17(11-14)20(25)26-16-8-3-13(4-9-16)19(24)12-1-6-15(23)7-2-12/h1-11H
InChIKeySELMPCYWCJDOQV-UHFFFAOYSA-N
MW389.21 g/mol
LogP5.58
Rot. Bonds4

About [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate

[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate (PubChem CID 7934693) has the molecular formula C20H11Cl2FO3 and a molecular weight of 389.21 g/mol. Its IUPAC name is [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate.

Molecular Properties

Compound Name[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate
PubChem CID7934693
Molecular FormulaC20H11Cl2FO3
Molecular Weight389.21 g/mol
Exact Mass388.01
IUPAC Name[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate
SMILESO=C(c1ccc(F)cc1)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1
InChIInChI=1S/C20H11Cl2FO3/c21-14-5-10-18(22)17(11-14)20(25)26-16-8-3-13(4-9-16)19(24)12-1-6-15(23)7-2-12/h1-11H
InChIKeySELMPCYWCJDOQV-UHFFFAOYSA-N
XLogP5.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.21
LogP ≤ 55.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
[4-(4-fluorobenzoyl)phenyl] 4-methylbenzoate
CID 2713488
[4-(4-fluorobenzoyl)phenyl] 2-(trifluoromethyl)benzoate
CID 7931113
[4-(4-fluorobenzoyl)phenyl] 4-tert-butylbenzoate
CID 7931111
(4-fluorophenyl) 2-chloro-5-piperidin-1-ylsulfonylbenzoate
CID 2339639
[4-(4-fluorobenzoyl)phenyl] (2S)-2-(4-chlorophenyl)-3-methylbutanoate
CID 7931102
(4-acetylphenyl) 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
CID 2710036
(2,5-dichlorophenyl)-(3,4-difluorophenyl)methanone
CID 43338246
(3,4-dichlorophenyl) 2,4-dichlorobenzoate
CID 2805035
N-[4-chloro-2-(4-fluorobenzoyl)phenyl]-4-fluorobenzamide
CID 67505636
[4-[3-(4-chlorophenyl)-4-[4-(4-fluorobenzoyl)phenoxy]phenoxy]phenyl]-(4-fluorophenyl)methanone
CID 101215966
(4-benzoylphenyl) 2-chloro-6-fluorobenzoate
CID 2678926

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate?
The IUPAC name of [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate (CID 7934693) is [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate.
What is the SMILES notation for [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate?
The canonical SMILES for [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate is O=C(c1ccc(F)cc1)c1ccc(OC(=O)c2cc(Cl)ccc2Cl)cc1.
What is the InChIKey of [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate?
The InChIKey is SELMPCYWCJDOQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11Cl2FO3/c21-14-5-10-18(22)17(11-14)20(25)26-16-8-3-13(4-9-16)19(24)12-1-6-15(23)7-2-12/h1-11H.
What are the key properties of [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate?
[4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate has a molecular weight of 389.21 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorobenzoyl)phenyl] 2,5-dichlorobenzoate is sourced from PubChem (CID 7934693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).