2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene

C14H10BrCl2FO — CID 63534231

IUPAC2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
SMILESFc1cccc(Cl)c1COc1ccc(CCl)cc1Br
InChIInChI=1S/C14H10BrCl2FO/c15-11-6-9(7-16)4-5-14(11)19-8-10-12(17)2-1-3-13(10)18/h1-6H,7-8H2
InChIKeyWULLHMRRYDQOHX-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.56
Rot. Bonds4

About 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene

2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene (PubChem CID 63534231) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene.

Molecular Properties

Compound Name2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
PubChem CID63534231
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene
SMILESFc1cccc(Cl)c1COc1ccc(CCl)cc1Br
InChIInChI=1S/C14H10BrCl2FO/c15-11-6-9(7-16)4-5-14(11)19-8-10-12(17)2-1-3-13(10)18/h1-6H,7-8H2
InChIKeyWULLHMRRYDQOHX-UHFFFAOYSA-N
XLogP5.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-fluorobenzene
CID 107691104
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
1-[[2-bromo-4-(chloromethyl)phenoxy]methyl]-2-chloro-3-fluorobenzene
CID 112652538
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
2-bromo-1-[(4-bromo-2-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63536412
N-[[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]methylidene]hydroxylamine
CID 22680259
5-[3-bromo-4-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-2H-tetrazole
CID 132593233
2-[4-[(2-chloro-6-fluorophenyl)methoxy]-3-methylphenyl]ethanamine
CID 82051709
1-chloro-2-[[4-(chloromethyl)-2-fluorophenoxy]methyl]-3-nitrobenzene
CID 107691151
3-[(2-chloro-6-fluorophenyl)methoxy]-1,2,4,5-tetrafluorobenzene
CID 112813104
2-[(2-chloro-6-fluorophenyl)methoxy]-5-propylphenol
CID 178141171

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The IUPAC name of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene (CID 63534231) is 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene.
What is the SMILES notation for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The canonical SMILES for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene is Fc1cccc(Cl)c1COc1ccc(CCl)cc1Br.
What is the InChIKey of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
The InChIKey is WULLHMRRYDQOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c15-11-6-9(7-16)4-5-14(11)19-8-10-12(17)2-1-3-13(10)18/h1-6H,7-8H2.
What are the key properties of 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene?
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene has a molecular weight of 364.04 g/mol, XLogP of 5.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-(chloromethyl)benzene is sourced from PubChem (CID 63534231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).