2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene

C14H10BrCl2FO — CID 65432324

IUPAC2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c1-19-12-4-2-3-11(18)13(12)14(15)9-7-8(16)5-6-10(9)17/h2-7,14H,1H3
InChIKeyJZJKCTMJMZRIFX-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.63
Rot. Bonds3

About 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene

2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene (PubChem CID 65432324) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
PubChem CID65432324
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C(Br)c1cc(Cl)ccc1Cl
InChIInChI=1S/C14H10BrCl2FO/c1-19-12-4-2-3-11(18)13(12)14(15)9-7-8(16)5-6-10(9)17/h2-7,14H,1H3
InChIKeyJZJKCTMJMZRIFX-UHFFFAOYSA-N
XLogP5.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.04
LogP ≤ 55.63
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-[bromo-(2,6-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477523
1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
CID 65434254
1-[bromo-(2,5-dichlorophenyl)methyl]-4-chloro-2-methoxybenzene
CID 63445203
(5-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanamine
CID 114885870
2-bromo-1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-3-fluorobenzene
CID 113425588
2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
CID 65433099
2-[1-bromo-2-(2-chloro-6-fluorophenyl)ethyl]-1-fluoro-3-methoxybenzene
CID 65433500
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
(2-chloro-6-fluorophenyl)-(5-chloro-2-methoxyphenyl)methanamine
CID 104545797
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432906
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435329
1-[bromo-(2-chloro-6-fluorophenyl)methyl]-2-chloro-4,5-dimethylbenzene
CID 115484950

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene?
The IUPAC name of 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene (CID 65432324) is 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene.
What is the SMILES notation for 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene?
The canonical SMILES for 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene is COc1cccc(F)c1C(Br)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene?
The InChIKey is JZJKCTMJMZRIFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c1-19-12-4-2-3-11(18)13(12)14(15)9-7-8(16)5-6-10(9)17/h2-7,14H,1H3.
What are the key properties of 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene?
2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene has a molecular weight of 364.04 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-(2,5-dichlorophenyl)methyl]-1-fluoro-3-methoxybenzene is sourced from PubChem (CID 65432324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).