1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene

C14H11BrClFO — CID 106530632

IUPAC1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
SMILESCc1ccc(Oc2cc(F)cc(CCl)c2)c(Br)c1
InChIInChI=1S/C14H11BrClFO/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-16)5-11(17)7-12/h2-7H,8H2,1H3
InChIKeyFLIPXZPMSKUOHK-UHFFFAOYSA-N
MW329.60 g/mol
LogP5.43
Rot. Bonds3

About 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene

1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene (PubChem CID 106530632) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene.

Molecular Properties

Compound Name1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
PubChem CID106530632
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene
SMILESCc1ccc(Oc2cc(F)cc(CCl)c2)c(Br)c1
InChIInChI=1S/C14H11BrClFO/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-16)5-11(17)7-12/h2-7H,8H2,1H3
InChIKeyFLIPXZPMSKUOHK-UHFFFAOYSA-N
XLogP5.43
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.60
LogP ≤ 55.43
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-(chloromethyl)-3-(2,5-dimethylphenoxy)-5-fluorobenzene
CID 106530613
1-(chloromethyl)-3-fluoro-5-(4-methylphenoxy)benzene
CID 106530587
2-bromo-1-(4-fluorophenoxy)-4-methylbenzene
CID 59982340
[3-(2-tert-butyl-4-methylphenoxy)-5-fluorophenyl]methanol
CID 106530108
1,2,4-trichloro-5-[3-(chloromethyl)-5-fluorophenoxy]benzene
CID 106530586
2-bromo-1-[4-(bromomethyl)phenoxy]-4-methylbenzene
CID 107087378
1-chloro-4-[3-(chloromethyl)-5-fluorophenoxy]-2-methylbenzene
CID 106530583
N-[[3-(2-bromo-4-chlorophenoxy)-5-fluorophenyl]methyl]propan-1-amine
CID 106533376
4-[3-(chloromethyl)-5-fluorophenoxy]-3-methoxybenzonitrile
CID 106530597
4-[3-(chloromethyl)-5-fluorophenoxy]-3-fluorobenzonitrile
CID 107666281
1-(chloromethyl)-3-[(2-chloro-4-methylphenyl)methoxy]-5-fluorobenzene
CID 106864606
2-bromo-1-[2-bromo-4-(chloromethyl)phenoxy]-4-fluorobenzene
CID 114062604

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene?
The IUPAC name of 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene (CID 106530632) is 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene.
What is the SMILES notation for 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene?
The canonical SMILES for 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene is Cc1ccc(Oc2cc(F)cc(CCl)c2)c(Br)c1.
What is the InChIKey of 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene?
The InChIKey is FLIPXZPMSKUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-9-2-3-14(13(15)4-9)18-12-6-10(8-16)5-11(17)7-12/h2-7H,8H2,1H3.
What are the key properties of 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene?
1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene has a molecular weight of 329.60 g/mol, XLogP of 5.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-4-methylphenoxy)-3-(chloromethyl)-5-fluorobenzene is sourced from PubChem (CID 106530632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).