4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene

C16H16ClFO — CID 28947258

IUPAC4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C16H16ClFO/c1-11(2)13-5-3-4-6-15(13)19-16-8-7-12(10-17)9-14(16)18/h3-9,11H,10H2,1-2H3
InChIKeyDRPOKTKXAAWWBZ-UHFFFAOYSA-N
MW278.75 g/mol
LogP5.48
Rot. Bonds4

About 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene

4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene (PubChem CID 28947258) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene.

Molecular Properties

Compound Name4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
PubChem CID28947258
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
SMILESCC(C)c1ccccc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C16H16ClFO/c1-11(2)13-5-3-4-6-15(13)19-16-8-7-12(10-17)9-14(16)18/h3-9,11H,10H2,1-2H3
InChIKeyDRPOKTKXAAWWBZ-UHFFFAOYSA-N
XLogP5.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.75
LogP ≤ 55.48
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-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
2,4-difluoro-1-(2-propan-2-ylphenoxy)benzene
CID 54486908
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
CID 43173845
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
5-(bromomethyl)-1,3-difluoro-2-(2-propan-2-ylphenoxy)benzene
CID 107087316
3-fluoro-4-(2-propan-2-ylphenoxy)benzenecarbothioamide
CID 43658061
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
2-[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803808
2-[5-fluoro-2-(2-propan-2-ylphenoxy)phenyl]ethanamine
CID 63803297
[3-methyl-4-(2-propan-2-ylphenoxy)phenyl]methanol
CID 62124011

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene?
The IUPAC name of 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene (CID 28947258) is 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene.
What is the SMILES notation for 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene?
The canonical SMILES for 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene is CC(C)c1ccccc1Oc1ccc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene?
The InChIKey is DRPOKTKXAAWWBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-11(2)13-5-3-4-6-15(13)19-16-8-7-12(10-17)9-14(16)18/h3-9,11H,10H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene?
4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene has a molecular weight of 278.75 g/mol, XLogP of 5.48, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene is sourced from PubChem (CID 28947258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).