2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene

C15H14ClFO — CID 103041754

IUPAC2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene
SMILESCc1cccc(C)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFO/c1-10-4-3-5-11(2)15(10)18-9-12-6-7-14(17)13(16)8-12/h3-8H,9H2,1-2H3
InChIKeyPSYXHOYFMRNLPY-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.67
Rot. Bonds3

About 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene

2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene (PubChem CID 103041754) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene.

Molecular Properties

Compound Name2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene
PubChem CID103041754
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene
SMILESCc1cccc(C)c1OCc1ccc(F)c(Cl)c1
InChIInChI=1S/C15H14ClFO/c1-10-4-3-5-11(2)15(10)18-9-12-6-7-14(17)13(16)8-12/h3-8H,9H2,1-2H3
InChIKeyPSYXHOYFMRNLPY-UHFFFAOYSA-N
XLogP4.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene?
The IUPAC name of 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene (CID 103041754) is 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene.
What is the SMILES notation for 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene?
The canonical SMILES for 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene is Cc1cccc(C)c1OCc1ccc(F)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene?
The InChIKey is PSYXHOYFMRNLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-10-4-3-5-11(2)15(10)18-9-12-6-7-14(17)13(16)8-12/h3-8H,9H2,1-2H3.
What are the key properties of 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene?
2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene has a molecular weight of 264.73 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,6-dimethylphenoxy)methyl]-1-fluorobenzene is sourced from PubChem (CID 103041754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).