1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene

C15H12F4O — CID 102261730

IUPAC1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
SMILESCOc1c(F)c(F)c(-c2ccc(C)c(C)c2)c(F)c1F
InChIInChI=1S/C15H12F4O/c1-7-4-5-9(6-8(7)2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-6H,1-3H3
InChIKeyLIAHQTGFNWLVRL-UHFFFAOYSA-N
MW284.25 g/mol
LogP4.54
Rot. Bonds2

About 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene

1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene (PubChem CID 102261730) has the molecular formula C15H12F4O and a molecular weight of 284.25 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
PubChem CID102261730
Molecular FormulaC15H12F4O
Molecular Weight284.25 g/mol
Exact Mass284.08
IUPAC Name1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene
SMILESCOc1c(F)c(F)c(-c2ccc(C)c(C)c2)c(F)c1F
InChIInChI=1S/C15H12F4O/c1-7-4-5-9(6-8(7)2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-6H,1-3H3
InChIKeyLIAHQTGFNWLVRL-UHFFFAOYSA-N
XLogP4.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.25
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene 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

1,2,3,4,5-pentafluoro-6-(4-methoxy-3-methylphenyl)benzene
CID 134628428
[4-(2,3,5,6-tetrafluoro-4-methoxyphenyl)phenyl]methylphosphonic acid
CID 132968810
1-(3,4-difluorophenyl)-2,3,5,6-tetrafluoro-4-methylbenzene
CID 118595772
2,3-difluoro-9-(2,3,4,5,6-pentafluorophenyl)-10-(2,3,5,6-tetrafluoro-4-methoxyphenyl)anthracene
CID 87458041
4-(4-fluorophenyl)-2-methoxy-1-methylbenzene
CID 46313029
1,2,3,4,5-pentafluoro-6-[2,3,5,6-tetrafluoro-4-(4-methoxyphenyl)phenyl]benzene
CID 102219520
3-fluoro-2-methoxy-4-methylphenol
CID 164891079
1-fluoro-9-(2,3,5,6-tetrafluoro-4-methoxyphenyl)-10-(3,4,5-trifluorophenyl)anthracene
CID 87428610
9-(3,4-dimethylphenyl)-10-[4-methyl-3-(trifluoromethyl)phenyl]anthracene
CID 129212253
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
1-methoxy-3-[3-methoxy-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)phenyl]-2,4,6-trimethyl-5-(3,4,5-trifluorophenyl)benzene
CID 89142850
5-(3,4-dimethylphenyl)-2,3-dimethoxybenzoic acid
CID 82107051

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene?
The IUPAC name of 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene (CID 102261730) is 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene is COc1c(F)c(F)c(-c2ccc(C)c(C)c2)c(F)c1F.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene?
The InChIKey is LIAHQTGFNWLVRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4O/c1-7-4-5-9(6-8(7)2)10-11(16)13(18)15(20-3)14(19)12(10)17/h4-6H,1-3H3.
What are the key properties of 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene?
1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene has a molecular weight of 284.25 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2,3,5,6-tetrafluoro-4-methoxybenzene is sourced from PubChem (CID 102261730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).