4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene

C14H11BrClFO — CID 55198482

IUPAC4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Cl)c1ccccc1F
InChIInChI=1S/C14H11BrClFO/c1-18-13-7-6-9(15)8-11(13)14(16)10-4-2-3-5-12(10)17/h2-8,14H,1H3
InChIKeyBXTVZXOIYAXRTI-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.93
Rot. Bonds3

About 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene

4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene (PubChem CID 55198482) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
PubChem CID55198482
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(Cl)c1ccccc1F
InChIInChI=1S/C14H11BrClFO/c1-18-13-7-6-9(15)8-11(13)14(16)10-4-2-3-5-12(10)17/h2-8,14H,1H3
InChIKeyBXTVZXOIYAXRTI-UHFFFAOYSA-N
XLogP4.93
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.93
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-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63427826
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882
4-bromo-2-[chloro-(3-fluoro-4-methoxyphenyl)methyl]-1-methoxybenzene
CID 63427533
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2-chloro-4-fluorobenzene
CID 63427282
1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-2,4-dichlorobenzene
CID 63427314
2-bromo-1-[(5-bromo-2-methoxyphenyl)-chloromethyl]-3-methylbenzene
CID 107983422
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472
1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-chloro-3-fluorobenzene
CID 81461836
N-[(5-bromo-2-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43487880
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
4-bromo-1-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434442

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene?
The IUPAC name of 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene (CID 55198482) is 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene is COc1ccc(Br)cc1C(Cl)c1ccccc1F.
What is the InChIKey of 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene?
The InChIKey is BXTVZXOIYAXRTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-18-13-7-6-9(15)8-11(13)14(16)10-4-2-3-5-12(10)17/h2-8,14H,1H3.
What are the key properties of 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene?
4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene has a molecular weight of 329.60 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[chloro-(2-fluorophenyl)methyl]-1-methoxybenzene is sourced from PubChem (CID 55198482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).