2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene

C14H10BrCl2FO — CID 63441083

IUPAC2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2FO/c1-19-13-5-3-9(18)7-10(13)14(15)8-2-4-11(16)12(17)6-8/h2-7,14H,1H3
InChIKeyGKTYBUZYCPKQGR-UHFFFAOYSA-N
MW364.04 g/mol
LogP5.63
Rot. Bonds3

About 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene

2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene (PubChem CID 63441083) has the molecular formula C14H10BrCl2FO and a molecular weight of 364.04 g/mol. Its IUPAC name is 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
PubChem CID63441083
Molecular FormulaC14H10BrCl2FO
Molecular Weight364.04 g/mol
Exact Mass361.93
IUPAC Name2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
SMILESCOc1ccc(F)cc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C14H10BrCl2FO/c1-19-13-5-3-9(18)7-10(13)14(15)8-2-4-11(16)12(17)6-8/h2-7,14H,1H3
InChIKeyGKTYBUZYCPKQGR-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'}

Analyze 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-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-(4-fluoro-3-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441261
2-[bromo-(3-fluoro-4-methylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 55199736
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186895
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-[bromo-(3,4-dichlorophenyl)methyl]-2,4-difluorobenzene
CID 63442364
5-[bromo-(5-fluoro-2-methoxyphenyl)methyl]-2,3-dihydro-1H-indene
CID 63441578
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672
2-[bromo-(4-methylsulfonylphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61098756
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene?
The IUPAC name of 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene (CID 63441083) is 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene is COc1ccc(F)cc1C(Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene?
The InChIKey is GKTYBUZYCPKQGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrCl2FO/c1-19-13-5-3-9(18)7-10(13)14(15)8-2-4-11(16)12(17)6-8/h2-7,14H,1H3.
What are the key properties of 2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene?
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-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-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene is sourced from PubChem (CID 63441083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).