2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene

C15H12BrClF2O2 — CID 104546489

IUPAC2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12BrClF2O2/c1-20-13-6-5-10(17)8-12(13)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyZWLVCRAZXLQLQV-UHFFFAOYSA-N
MW377.61 g/mol
LogP5.43
Rot. Bonds5

About 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene

2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene (PubChem CID 104546489) has the molecular formula C15H12BrClF2O2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
PubChem CID104546489
Molecular FormulaC15H12BrClF2O2
Molecular Weight377.61 g/mol
Exact Mass375.97
IUPAC Name2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1C(Br)c1cccc(OC(F)F)c1
InChIInChI=1S/C15H12BrClF2O2/c1-20-13-6-5-10(17)8-12(13)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyZWLVCRAZXLQLQV-UHFFFAOYSA-N
XLogP5.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.61
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5-chloro-2-methoxyphenyl)-[3-(difluoromethoxy)phenyl]methanol
CID 104546174
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
1-bromo-4-[bromo-(5-chloro-2-methoxyphenyl)methyl]-2-chlorobenzene
CID 104546441
2-bromo-1-[bromo-(5-chloro-2-methoxyphenyl)methyl]-3-fluorobenzene
CID 113425588
2-[bromo-(3-chloro-4-methylphenyl)methyl]-4-chloro-1-methoxybenzene
CID 104546555
1,4-dichloro-2-[chloro-[3-(difluoromethoxy)phenyl]methyl]benzene
CID 63436864
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,3-difluoro-5-methoxybenzene
CID 63435329
[3-(difluoromethoxy)phenyl]-(4-methoxy-3-methylphenyl)methanamine
CID 43379666
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
[3-(difluoromethoxy)phenyl]-(2-fluoro-3-methoxyphenyl)methanamine
CID 105025170
2-[bromo-(5-chloro-2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 63438875

Frequently Asked Questions

What is the IUPAC name of 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene (CID 104546489) is 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1C(Br)c1cccc(OC(F)F)c1.
What is the InChIKey of 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene?
The InChIKey is ZWLVCRAZXLQLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2O2/c1-20-13-6-5-10(17)8-12(13)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3.
What are the key properties of 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene?
2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene has a molecular weight of 377.61 g/mol, XLogP of 5.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 104546489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).