1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene

C16H16ClFO — CID 112613649

IUPAC1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
SMILESCCc1ccc(COc2c(F)cccc2CCl)cc1
InChIInChI=1S/C16H16ClFO/c1-2-12-6-8-13(9-7-12)11-19-16-14(10-17)4-3-5-15(16)18/h3-9H,2,10-11H2,1H3
InChIKeyLHQATOZGRMGXFV-UHFFFAOYSA-N
MW278.75 g/mol
LogP4.71
Rot. Bonds5

About 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene

1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene (PubChem CID 112613649) has the molecular formula C16H16ClFO and a molecular weight of 278.75 g/mol. Its IUPAC name is 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene.

Molecular Properties

Compound Name1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
PubChem CID112613649
Molecular FormulaC16H16ClFO
Molecular Weight278.75 g/mol
Exact Mass278.09
IUPAC Name1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene
SMILESCCc1ccc(COc2c(F)cccc2CCl)cc1
InChIInChI=1S/C16H16ClFO/c1-2-12-6-8-13(9-7-12)11-19-16-14(10-17)4-3-5-15(16)18/h3-9H,2,10-11H2,1H3
InChIKeyLHQATOZGRMGXFV-UHFFFAOYSA-N
XLogP4.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.75
LogP ≤ 54.71
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-chloro-4-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-2-fluorobenzene
CID 107882644
2-bromo-1-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-fluorobenzene
CID 112613624
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
4-[[2-fluoro-6-(hydroxymethyl)phenoxy]methyl]phenol
CID 112613126
2-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-3-methylpyridine
CID 112650732
1-(chloromethyl)-2-(3,3-dimethylbutoxy)-3-fluorobenzene
CID 112613586
1-(bromomethyl)-3-chloro-2-[(4-ethylphenyl)methoxy]benzene
CID 112613813
1-[3-fluoro-2-[(4-fluorophenyl)methoxy]phenyl]propan-2-amine
CID 115958647
5-[[2-(chloromethyl)-6-fluorophenoxy]methyl]-1-propan-2-yl-1,2,4-triazole
CID 112613661
1-bromo-2-[(4-tert-butylphenyl)methoxy]-3-(chloromethyl)benzene
CID 63534527
2-bromo-1-[[2-(chloromethyl)-6-methylphenoxy]methyl]-3-fluorobenzene
CID 112613290

Frequently Asked Questions

What is the IUPAC name of 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene?
The IUPAC name of 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene (CID 112613649) is 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene.
What is the SMILES notation for 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene?
The canonical SMILES for 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene is CCc1ccc(COc2c(F)cccc2CCl)cc1.
What is the InChIKey of 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene?
The InChIKey is LHQATOZGRMGXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFO/c1-2-12-6-8-13(9-7-12)11-19-16-14(10-17)4-3-5-15(16)18/h3-9H,2,10-11H2,1H3.
What are the key properties of 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene?
1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene has a molecular weight of 278.75 g/mol, XLogP of 4.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(chloromethyl)-2-[(4-ethylphenyl)methoxy]-3-fluorobenzene is sourced from PubChem (CID 112613649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).