1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene

C19H12F4O2 — CID 178069232

IUPAC1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
SMILESCOc1ccc(-c2c(F)c(F)c(Oc3ccccc3)c(F)c2F)cc1
InChIInChI=1S/C19H12F4O2/c1-24-12-9-7-11(8-10-12)14-15(20)17(22)19(18(23)16(14)21)25-13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyDXGRUPGRGTXETJ-UHFFFAOYSA-N
MW348.30 g/mol
LogP5.71
Rot. Bonds4

About 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene

1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene (PubChem CID 178069232) has the molecular formula C19H12F4O2 and a molecular weight of 348.30 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
PubChem CID178069232
Molecular FormulaC19H12F4O2
Molecular Weight348.30 g/mol
Exact Mass348.08
IUPAC Name1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene
SMILESCOc1ccc(-c2c(F)c(F)c(Oc3ccccc3)c(F)c2F)cc1
InChIInChI=1S/C19H12F4O2/c1-24-12-9-7-11(8-10-12)14-15(20)17(22)19(18(23)16(14)21)25-13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyDXGRUPGRGTXETJ-UHFFFAOYSA-N
XLogP5.71
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.30
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
1,2,4,5-tetrafluoro-3,6-diphenoxybenzene
CID 679714
1-[4-(4-methoxyphenyl)phenyl]-2,4,6-triphenyl-3,5-bis(4-phenylphenyl)benzene
CID 138981847
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-(trifluoromethyl)benzene
CID 71424392
1,2,3,4,5-pentafluoro-6-[2-(4-methoxyphenyl)phenyl]benzene
CID 139240862
(4-methoxyphenyl)-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]methanone
CID 58690167
1-N,4-N-diphenyl-1-N,4-N-bis[4-[2,3,5,6-tetrafluoro-4-(2,3,4,5,6-pentafluorophenyl)phenoxy]phenyl]benzene-1,4-diamine
CID 138724935
anisole;1,2-difluorobenzene
CID 158594805
1,2,3,4,5-pentamethoxy-6-phenoxybenzene
CID 91516072
1,2,4,5-tetrafluoro-3-methyl-6-[4-[4-[2-methyl-3-[4-[4-[2,3,5,6-tetrafluoro-4-(2,3,5,6-tetrafluoro-4-methylphenyl)phenoxy]phenyl]phenoxy]phenoxy]phenyl]phenoxy]benzene
CID 58185850
1,2,3,4,5-pentafluoro-9-(4-methoxyphenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87428594
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene (CID 178069232) is 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene is COc1ccc(-c2c(F)c(F)c(Oc3ccccc3)c(F)c2F)cc1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene?
The InChIKey is DXGRUPGRGTXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F4O2/c1-24-12-9-7-11(8-10-12)14-15(20)17(22)19(18(23)16(14)21)25-13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene?
1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene has a molecular weight of 348.30 g/mol, XLogP of 5.71, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetrafluoro-3-(4-methoxyphenyl)-6-phenoxybenzene is sourced from PubChem (CID 178069232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).