1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene

C15H12F4O2 — CID 112769762

IUPAC1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
SMILESCc1cccc(OCCOc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C15H12F4O2/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h2-4,7-8H,5-6H2,1H3
InChIKeyRTQOXCJEHKBHOS-UHFFFAOYSA-N
MW300.25 g/mol
LogP4.01
Rot. Bonds5

About 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene

1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene (PubChem CID 112769762) has the molecular formula C15H12F4O2 and a molecular weight of 300.25 g/mol. Its IUPAC name is 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene.

Molecular Properties

Compound Name1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
PubChem CID112769762
Molecular FormulaC15H12F4O2
Molecular Weight300.25 g/mol
Exact Mass300.08
IUPAC Name1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene
SMILESCc1cccc(OCCOc2c(F)c(F)cc(F)c2F)c1
InChIInChI=1S/C15H12F4O2/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h2-4,7-8H,5-6H2,1H3
InChIKeyRTQOXCJEHKBHOS-UHFFFAOYSA-N
XLogP4.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.25
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1-methoxy-4-[2-(3-methylphenoxy)ethoxy]benzene
CID 14047829
1-(3-iodopropoxy)-3-methylbenzene
CID 64788353
1-methyl-3-pentadecoxybenzene
CID 154641822
methyl-[2-(3-methylphenoxy)ethyl]azanium
CID 7131761
1-hexadecoxy-3-methylbenzene
CID 154641790
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
trimethyl-[2-(3-methylphenoxy)ethyl]azanium iodide
CID 160571786
1-(2,6-difluoro-3-methylphenyl)-3-(3-methylphenoxy)propan-1-ol
CID 105121745
ethane;ethene;2-(3-methylphenoxy)ethanamine;molecular hydrogen
CID 170739298
1-(2-fluoro-5-methylphenyl)-3-(3-methylphenoxy)propan-1-amine
CID 105143129

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene?
The IUPAC name of 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene (CID 112769762) is 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene.
What is the SMILES notation for 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene?
The canonical SMILES for 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene is Cc1cccc(OCCOc2c(F)c(F)cc(F)c2F)c1.
What is the InChIKey of 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene?
The InChIKey is RTQOXCJEHKBHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O2/c1-9-3-2-4-10(7-9)20-5-6-21-15-13(18)11(16)8-12(17)14(15)19/h2-4,7-8H,5-6H2,1H3.
What are the key properties of 1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene?
1,2,4,5-tetrafluoro-3-[2-(3-methylphenoxy)ethoxy]benzene has a molecular weight of 300.25 g/mol, XLogP of 4.01, 5 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-[2-(3-methylphenoxy)ethoxy]benzene is sourced from PubChem (CID 112769762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).