2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene

C15H14F2O — CID 151061360

IUPAC2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1OC(F)F
InChIInChI=1S/C15H14F2O/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)18-15(16)17/h3-9,15H,1-2H3
InChIKeyMGFQJHZZDBAXNB-UHFFFAOYSA-N
MW248.27 g/mol
LogP4.57
Rot. Bonds3

About 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene

2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene (PubChem CID 151061360) has the molecular formula C15H14F2O and a molecular weight of 248.27 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
PubChem CID151061360
Molecular FormulaC15H14F2O
Molecular Weight248.27 g/mol
Exact Mass248.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene
SMILESCc1cccc(C)c1-c1ccccc1OC(F)F
InChIInChI=1S/C15H14F2O/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)18-15(16)17/h3-9,15H,1-2H3
InChIKeyMGFQJHZZDBAXNB-UHFFFAOYSA-N
XLogP4.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.27
LogP ≤ 54.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene (CID 151061360) is 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene is Cc1cccc(C)c1-c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene?
The InChIKey is MGFQJHZZDBAXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O/c1-10-6-5-7-11(2)14(10)12-8-3-4-9-13(12)18-15(16)17/h3-9,15H,1-2H3.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene?
2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene has a molecular weight of 248.27 g/mol, XLogP of 4.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-1,3-dimethylbenzene is sourced from PubChem (CID 151061360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).