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

C15H12BrClF2O2 — CID 63442982

IUPAC1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cccc(OC(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H12BrClF2O2/c1-20-10-5-6-12(13(17)8-10)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyURHBXQDIHREBFM-UHFFFAOYSA-N
MW377.61 g/mol
LogP5.43
Rot. Bonds5

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

1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene (PubChem CID 63442982) has the molecular formula C15H12BrClF2O2 and a molecular weight of 377.61 g/mol. Its IUPAC name is 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
PubChem CID63442982
Molecular FormulaC15H12BrClF2O2
Molecular Weight377.61 g/mol
Exact Mass375.97
IUPAC Name1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2cccc(OC(F)F)c2)c(Cl)c1
InChIInChI=1S/C15H12BrClF2O2/c1-20-10-5-6-12(13(17)8-10)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3
InChIKeyURHBXQDIHREBFM-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

2-[bromo-[3-(difluoromethoxy)phenyl]methyl]-4-chloro-1-methoxybenzene
CID 104546489
1-[bromo-(3,4-difluorophenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443486
1-[bromo-(4-fluoro-3-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63442538
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
CID 63443237
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
[3-(difluoromethoxy)phenyl]-(2-fluoro-4-methoxyphenyl)methanamine
CID 43561286
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604
1-(1-bromo-2,2-difluoroethyl)-2-chloro-4-methoxybenzene
CID 103514539
2-bromo-4-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 107964733
3-[bromo-(3-methoxyphenyl)methyl]-2,5-dichlorothiophene
CID 55197831
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
1-[bromo-(3-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 63438319

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene (CID 63442982) is 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2cccc(OC(F)F)c2)c(Cl)c1.
What is the InChIKey of 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene?
The InChIKey is URHBXQDIHREBFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrClF2O2/c1-20-10-5-6-12(13(17)8-10)14(16)9-3-2-4-11(7-9)21-15(18)19/h2-8,14-15H,1H3.
What are the key properties of 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene?
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-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 1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 63442982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).