1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene

C14H11BrFIO — CID 63443159

IUPAC1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccccc2I)c(F)c1
InChIInChI=1S/C14H11BrFIO/c1-18-9-6-7-10(12(16)8-9)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3
InChIKeyLTEDUVHHJHVSCK-UHFFFAOYSA-N
MW421.05 g/mol
LogP4.92
Rot. Bonds3

About 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene

1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene (PubChem CID 63443159) has the molecular formula C14H11BrFIO and a molecular weight of 421.05 g/mol. Its IUPAC name is 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
PubChem CID63443159
Molecular FormulaC14H11BrFIO
Molecular Weight421.05 g/mol
Exact Mass419.90
IUPAC Name1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccccc2I)c(F)c1
InChIInChI=1S/C14H11BrFIO/c1-18-9-6-7-10(12(16)8-9)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3
InChIKeyLTEDUVHHJHVSCK-UHFFFAOYSA-N
XLogP4.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.05
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene 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

2-[bromo-(2-iodophenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63434807
1-[bromo-(2-ethoxyphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 63443200
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-chloro-2,5-dimethylbenzene
CID 102884625
3-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,4,5-trimethylfuran
CID 65152045
1-[bromo-(3-chloro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 81324965
5-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-2,3-dimethylthiophene
CID 65238352
2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-3,5-dimethylthiophene
CID 102884679
bis(2-fluoro-4-methoxyphenyl)methanol
CID 102884350
(2-fluoro-4-methoxyphenyl)-phenylmethanamine
CID 43561220
1-[bromo-(2,4-dimethoxyphenyl)methyl]-4-chloro-2,5-difluorobenzene
CID 82771219
N-[(2-fluoro-4-methoxyphenyl)-(2-fluorophenyl)methyl]ethanamine
CID 43561465

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene (CID 63443159) is 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene is COc1ccc(C(Br)c2ccccc2I)c(F)c1.
What is the InChIKey of 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene?
The InChIKey is LTEDUVHHJHVSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrFIO/c1-18-9-6-7-10(12(16)8-9)14(15)11-4-2-3-5-13(11)17/h2-8,14H,1H3.
What are the key properties of 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene?
1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene has a molecular weight of 421.05 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(2-iodophenyl)methyl]-2-fluoro-4-methoxybenzene is sourced from PubChem (CID 63443159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).