(4-phenylmethoxyphenyl) 2,5-difluorobenzoate

C20H14F2O3 — CID 91699651

IUPAC(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C20H14F2O3/c21-15-6-11-19(22)18(12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyRYZWKDFCBSDLHU-UHFFFAOYSA-N
MW340.33 g/mol
LogP4.76
Rot. Bonds5

About (4-phenylmethoxyphenyl) 2,5-difluorobenzoate

(4-phenylmethoxyphenyl) 2,5-difluorobenzoate (PubChem CID 91699651) has the molecular formula C20H14F2O3 and a molecular weight of 340.33 g/mol. Its IUPAC name is (4-phenylmethoxyphenyl) 2,5-difluorobenzoate.

Molecular Properties

Compound Name(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
PubChem CID91699651
Molecular FormulaC20H14F2O3
Molecular Weight340.33 g/mol
Exact Mass340.09
IUPAC Name(4-phenylmethoxyphenyl) 2,5-difluorobenzoate
SMILESO=C(Oc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F
InChIInChI=1S/C20H14F2O3/c21-15-6-11-19(22)18(12-15)20(23)25-17-9-7-16(8-10-17)24-13-14-4-2-1-3-5-14/h1-12H,13H2
InChIKeyRYZWKDFCBSDLHU-UHFFFAOYSA-N
XLogP4.76
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.33
LogP ≤ 54.76
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

(4-phenylmethoxyphenyl) 4-chloro-2-fluorobenzoate
CID 18204640
[4-[[(4-phenylmethoxybenzoyl)hydrazinylidene]methyl]phenyl] 2-fluorobenzoate
CID 4605891
(5-chloro-3-pyridinyl) 2-fluoro-4-phenylmethoxybenzoate
CID 177378873
(4-phenylmethoxyphenyl) 2,6-dimethoxybenzoate
CID 16644851
(3,4,5-trifluorophenyl) 3-[4-(4-phenylmethoxybenzoyl)oxybenzoyl]oxybenzoate
CID 142737532
5-chloro-2-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538928
[4-(2-fluorobenzoyl)oxyphenyl] 2-fluorobenzoate
CID 579414
(4-phenylmethoxyphenyl) 1,3-diphenylpyrazole-4-carboxylate
CID 3630951
2-bromo-4-fluoro-N'-[2-(4-phenylmethoxyphenoxy)acetyl]benzohydrazide
CID 24538888
[4-(4-cyanophenyl)phenyl] 2-[(4-fluorophenyl)methoxy]benzoate
CID 4012182
2-(2,4-difluoroanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 109010754
N-(2,4-difluorophenyl)-2-(4-phenylmethoxyanilino)acetamide
CID 37220850

Frequently Asked Questions

What is the IUPAC name of (4-phenylmethoxyphenyl) 2,5-difluorobenzoate?
The IUPAC name of (4-phenylmethoxyphenyl) 2,5-difluorobenzoate (CID 91699651) is (4-phenylmethoxyphenyl) 2,5-difluorobenzoate.
What is the SMILES notation for (4-phenylmethoxyphenyl) 2,5-difluorobenzoate?
The canonical SMILES for (4-phenylmethoxyphenyl) 2,5-difluorobenzoate is O=C(Oc1ccc(OCc2ccccc2)cc1)c1cc(F)ccc1F.
What is the InChIKey of (4-phenylmethoxyphenyl) 2,5-difluorobenzoate?
The InChIKey is RYZWKDFCBSDLHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2O3/c21-15-6-11-19(22)18(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) 2,5-difluorobenzoate?
(4-phenylmethoxyphenyl) 2,5-difluorobenzoate has a molecular weight of 340.33 g/mol, XLogP of 4.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenylmethoxyphenyl) 2,5-difluorobenzoate is sourced from PubChem (CID 91699651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).