[4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate

C112H90F10O14 — CID 158798584

About [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate

[4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate (PubChem CID 158798584) has the molecular formula C112H90F10O14 and a molecular weight of 1849.92 g/mol. Its IUPAC name is [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate.

Molecular Properties

• Compound Name: [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate
• PubChem CID: 158798584
• Molecular Formula: C112H90F10O14
• Molecular Weight: 1849.92 g/mol
• Exact Mass: 1848.62
• IUPAC Name: [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate
• SMILES: CC(=O)Cc1ccc(OC(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)cc1F.CC(=O)OCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)c(F)c2F)cc1.CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(F)c3F)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1F.COCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F
• InChI: InChI=1S/C23H18F2O4.C23H18F2O3.C22H18F2O3.2C22H18F2O2/c1-14-3-7-17(8-4-14)19-11-12-20(22(25)21(19)24)23(27)29-18-9-5-16(6-10-18)13-28-15(2)26;1-14-3-4-18(12-21(14)24)16-5-7-17(8-6-16)23(27)28-20-10-9-19(11-15(2)26)22(25)13-20;1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)22(25)27-19-12-11-18(13-26-2)20(23)21(19)24;1-3-15-5-7-17(8-6-15)22(25)26-18-11-9-16(10-12-18)19-13-4-14(2)20(23)21(19)24;1-3-15-8-10-18(13-20(15)23)26-22(25)19-11-9-17(12-21(19)24)16-6-4-14(2)5-7-16/h3-12H,13H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-12H,13H2,1-2H3;2*4-13H,3H2,1-2H3
• InChIKey: ITEKCYDXUYTIMP-UHFFFAOYSA-N
• XLogP: 27.26
• TPSA: 184.10 Ų
• H-Bond Acceptors: 14
• Rotatable Bonds: 23
• Heavy Atoms: 136
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1849.92
LogP ≤ 5	27.26
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate?

The IUPAC name of [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate (CID 158798584) is [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate.

What is the SMILES notation for [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate?

The canonical SMILES for [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate is CC(=O)Cc1ccc(OC(=O)c2ccc(-c3ccc(C)c(F)c3)cc2)cc1F.CC(=O)OCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)c(F)c2F)cc1.CCc1ccc(C(=O)Oc2ccc(-c3ccc(C)c(F)c3F)cc2)cc1.CCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2F)cc1F.COCc1ccc(OC(=O)c2ccc(-c3ccc(C)cc3)cc2)c(F)c1F.

What is the InChIKey of [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate?

The InChIKey is ITEKCYDXUYTIMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2O4.C23H18F2O3.C22H18F2O3.2C22H18F2O2/c1-14-3-7-17(8-4-14)19-11-12-20(22(25)21(19)24)23(27)29-18-9-5-16(6-10-18)13-28-15(2)26;1-14-3-4-18(12-21(14)24)16-5-7-17(8-6-16)23(27)28-20-10-9-19(11-15(2)26)22(25)13-20;1-14-3-5-15(6-4-14)16-7-9-17(10-8-16)22(25)27-19-12-11-18(13-26-2)20(23)21(19)24;1-3-15-5-7-17(8-6-15)22(25)26-18-11-9-16(10-12-18)19-13-4-14(2)20(23)21(19)24;1-3-15-8-10-18(13-20(15)23)26-22(25)19-11-9-17(12-21(19)24)16-6-4-14(2)5-7-16/h3-12H,13H2,1-2H3;3-10,12-13H,11H2,1-2H3;3-12H,13H2,1-2H3;2*4-13H,3H2,1-2H3.

What are the key properties of [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate?

[4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate has a molecular weight of 1849.92 g/mol, XLogP of 27.26, 23 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(acetyloxymethyl)phenyl] 2,3-difluoro-4-(4-methylphenyl)benzoate;[2,3-difluoro-4-(methoxymethyl)phenyl] 4-(4-methylphenyl)benzoate;[4-(2,3-difluoro-4-methylphenyl)phenyl] 4-ethylbenzoate;(4-ethyl-3-fluorophenyl) 2-fluoro-4-(4-methylphenyl)benzoate;[3-fluoro-4-(2-oxopropyl)phenyl] 4-(3-fluoro-4-methylphenyl)benzoate is sourced from PubChem (CID 158798584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).