4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene

C15H14ClFO — CID 43173845

IUPAC4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
SMILESCCc1ccccc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C15H14ClFO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-16)9-13(15)17/h3-9H,2,10H2,1H3
InChIKeyUWXWAXILVYVHHW-UHFFFAOYSA-N
MW264.73 g/mol
LogP4.92
Rot. Bonds4

About 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene

4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene (PubChem CID 43173845) has the molecular formula C15H14ClFO and a molecular weight of 264.73 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene.

Molecular Properties

Compound Name4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
PubChem CID43173845
Molecular FormulaC15H14ClFO
Molecular Weight264.73 g/mol
Exact Mass264.07
IUPAC Name4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene
SMILESCCc1ccccc1Oc1ccc(CCl)cc1F
InChIInChI=1S/C15H14ClFO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-16)9-13(15)17/h3-9H,2,10H2,1H3
InChIKeyUWXWAXILVYVHHW-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.73
LogP ≤ 54.92
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

4-(chloromethyl)-2-fluoro-1-(2-propan-2-ylphenoxy)benzene
CID 28947258
4-(chloromethyl)-1-(2-fluorophenoxy)-2-methylbenzene
CID 63565705
2-[4-(chloromethyl)-2-fluorophenoxy]-1-fluoro-4-methylbenzene
CID 64856384
4-(chloromethyl)-2-fluoro-1-[(2-methylphenyl)methoxy]benzene
CID 107691185
4-(2-ethylphenoxy)-3-fluorobenzenecarboximidamide
CID 43658562
4-chloro-2-(2-ethylphenoxy)-5-fluoroaniline
CID 114089148
2-(2-ethylphenoxy)-4,6-difluoroaniline
CID 113325409
4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
CID 43365212
[4-(2-ethylphenoxy)-3-methylphenyl]methanol
CID 62125436
1-(4-bromo-2-propan-2-ylphenoxy)-4-(chloromethyl)-2-fluorobenzene
CID 115402447
5-(chloromethyl)-1,3-difluoro-2-(2-fluorophenoxy)benzene
CID 63076204
4-(chloromethyl)-2-fluoro-1-(2-methoxy-5-nitrophenoxy)benzene
CID 61031938

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene?
The IUPAC name of 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene (CID 43173845) is 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene.
What is the SMILES notation for 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene?
The canonical SMILES for 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene is CCc1ccccc1Oc1ccc(CCl)cc1F.
What is the InChIKey of 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene?
The InChIKey is UWXWAXILVYVHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-16)9-13(15)17/h3-9H,2,10H2,1H3.
What are the key properties of 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene?
4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene has a molecular weight of 264.73 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(2-ethylphenoxy)-2-fluorobenzene is sourced from PubChem (CID 43173845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).