(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate

C20H14ClFO3 — CID 18204640

IUPAC(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C20H14ClFO3/c21-15-6-11-18(19(22)12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyKDVDJFJUNYIJSP-UHFFFAOYSA-N
MW356.78 g/mol
LogP5.28
Rot. Bonds5

About (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate

(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate (PubChem CID 18204640) has the molecular formula C20H14ClFO3 and a molecular weight of 356.78 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
PubChem CID18204640
Molecular FormulaC20H14ClFO3
Molecular Weight356.78 g/mol
Exact Mass356.06
IUPAC Name(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F
InChIInChI=1S/C20H14ClFO3/c21-15-6-11-18(19(22)12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyKDVDJFJUNYIJSP-UHFFFAOYSA-N
XLogP5.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.78
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
CID 91699651
(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
4-chloro-2-(4-phenylmethoxyphenyl)benzoic acid
CID 53228734
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
benzyl 4-chloro-2-phenylmethoxybenzoate
CID 66989997
[4-[(4-chlorophenyl)methoxy]phenyl] hydrogen carbonate
CID 146594775
methyl 2-(2-fluoro-4-phenylmethoxyphenyl)-2-oxoacetate
CID 170640428
(3,4,5-trifluorophenyl) 3-[4-(4-phenylmethoxybenzoyl)oxybenzoyl]oxybenzoate
CID 142737532
2-chloro-6-phenylmethoxynaphthalene
CID 125116795
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
benzyl 2-fluoro-4-methoxybenzoate
CID 103602947
methyl 5-chloro-3-fluoro-2-phenylmethoxybenzoate
CID 164895372

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate?
The IUPAC name of (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate (CID 18204640) is (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate is O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1F.
What is the InChIKey of (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate?
The InChIKey is KDVDJFJUNYIJSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFO3/c21-15-6-11-18(19(22)12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2.
What are the key properties of (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate?
(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate has a molecular weight of 356.78 g/mol, XLogP of 5.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate is sourced from PubChem (CID 18204640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).