1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene

C13H8BrCl2FO — CID 114068008

IUPAC1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2c(Cl)cccc2CBr)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-8-2-1-3-10(15)13(8)18-12-5-4-9(17)6-11(12)16/h1-6H,7H2
InChIKeyMMMYNCDJMVZSMQ-UHFFFAOYSA-N
MW350.01 g/mol
LogP5.82
Rot. Bonds3

About 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene

1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene (PubChem CID 114068008) has the molecular formula C13H8BrCl2FO and a molecular weight of 350.01 g/mol. Its IUPAC name is 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
PubChem CID114068008
Molecular FormulaC13H8BrCl2FO
Molecular Weight350.01 g/mol
Exact Mass347.91
IUPAC Name1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene
SMILESFc1ccc(Oc2c(Cl)cccc2CBr)c(Cl)c1
InChIInChI=1S/C13H8BrCl2FO/c14-7-8-2-1-3-10(15)13(8)18-12-5-4-9(17)6-11(12)16/h1-6H,7H2
InChIKeyMMMYNCDJMVZSMQ-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.01
LogP ≤ 55.82
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-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087875
1-[2-(bromomethyl)-3-chlorophenoxy]-2-chloro-4-fluorobenzene
CID 107087872
1-chloro-3-(2-chloro-4-fluorophenoxy)-2-(chloromethyl)benzene
CID 63567494
1-(bromomethyl)-3-chloro-2-(2-propan-2-ylphenoxy)benzene
CID 114067986
1-(bromomethyl)-3-chloro-2-[(3-fluorophenyl)methoxy]benzene
CID 112613744
1-(bromomethyl)-2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzene
CID 112614047
1-(bromomethyl)-4-(2-chloro-4-fluorophenoxy)-2-methylbenzene
CID 107087869
1-[4-(bromomethyl)phenoxy]-2-chloro-4-fluorobenzene
CID 107087882
[2-(2,3-dichlorophenoxy)-5-fluorophenyl]methanol
CID 43313342
N-[[2-(2-chloro-4-fluorophenoxy)phenyl]methyl]ethanamine
CID 54880707
[2-(2-chlorophenoxy)-5-fluorophenyl]methanamine
CID 43314193
1-[2-(bromomethyl)-4-fluorophenoxy]-4-chloro-2-fluorobenzene
CID 114267907

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene (CID 114068008) is 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene is Fc1ccc(Oc2c(Cl)cccc2CBr)c(Cl)c1.
What is the InChIKey of 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene?
The InChIKey is MMMYNCDJMVZSMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrCl2FO/c14-7-8-2-1-3-10(15)13(8)18-12-5-4-9(17)6-11(12)16/h1-6H,7H2.
What are the key properties of 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene?
1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene has a molecular weight of 350.01 g/mol, XLogP of 5.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-chloro-2-(2-chloro-4-fluorophenoxy)benzene is sourced from PubChem (CID 114068008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).