1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene

C15H14ClFO — CID 106530613

IUPAC1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
SMILESCc1ccc(C)c(Oc2cc(F)cc(CCl)c2)c1
InChIInChI=1S/C15H14ClFO/c1-10-3-4-11(2)15(5-10)18-14-7-12(9-16)6-13(17)8-14/h3-8H,9H2,1-2H3
InChIKeyJVYKRKIFDLVVFY-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.97
Rot. Bonds3

About 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene

1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene (PubChem CID 106530613) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
PubChem CID106530613
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
SMILESCc1ccc(C)c(Oc2cc(F)cc(CCl)c2)c1
InChIInChI=1S/C15H14ClFO/c1-10-3-4-11(2)15(5-10)18-14-7-12(9-16)6-13(17)8-14/h3-8H,9H2,1-2H3
InChIKeyJVYKRKIFDLVVFY-UHFFFAOYSA-N
XLogP4.97
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 ≤ 54.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
CID 106530632
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
[3-fluoro-5-(5-fluoro-2-methylphenoxy)phenyl]methanol
CID 106530242
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
1-[3-fluoro-5-(2-fluoro-5-methylphenoxy)phenyl]-N-methylmethanamine
CID 106531321
1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
CID 106864606
2-(chloromethyl)-1-(5-fluoro-2-methylphenoxy)-4-methylbenzene
CID 114054837
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
4-[3-(chloromethyl)-5-fluorophenoxy]-3-methoxybenzonitrile
CID 106530597
4-[3-(chloromethyl)-5-fluorophenoxy]-3-fluorobenzonitrile
CID 107666281
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanamine
CID 102814455

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene (CID 106530613) is 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene is Cc1ccc(C)c(Oc2cc(F)cc(CCl)c2)c1.
What is the InChIKey of 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene?
The InChIKey is JVYKRKIFDLVVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-10-3-4-11(2)15(5-10)18-14-7-12(9-16)6-13(17)8-14/h3-8H,9H2,1-2H3.
What are the key properties of 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene?
1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene has a molecular weight of 264.73 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene is sourced from PubChem (CID 106530613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).