1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene

C15H13BrClFO2 — CID 63443237

IUPAC1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(OC)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(12(17)8-10)15(16)9-3-6-14(20-2)13(18)7-9/h3-8,15H,1-2H3
InChIKeyWOBHLNBDSDNJSS-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.98
Rot. Bonds4

About 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene

1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene (PubChem CID 63443237) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene.

Molecular Properties

Compound Name1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
PubChem CID63443237
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene
SMILESCOc1ccc(C(Br)c2ccc(OC)c(F)c2)c(Cl)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(12(17)8-10)15(16)9-3-6-14(20-2)13(18)7-9/h3-8,15H,1-2H3
InChIKeyWOBHLNBDSDNJSS-UHFFFAOYSA-N
XLogP4.98
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.62
LogP ≤ 54.98
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

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
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
CID 61097600
1-[bromo-(4-methylphenyl)methyl]-2-chloro-4-methoxybenzene
CID 55197646
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508
1-[bromo-(3,4-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477519
1-[bromo-(4-methoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477582
1-[bromo-(3-bromo-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 63435476
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1-[bromo-[3-(difluoromethoxy)phenyl]methyl]-2-chloro-4-methoxybenzene
CID 63442982
3-[bromo-(2-chloro-4-methoxyphenyl)methyl]thiophene
CID 61098604

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene?
The IUPAC name of 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene (CID 63443237) is 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene.
What is the SMILES notation for 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene?
The canonical SMILES for 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene is COc1ccc(C(Br)c2ccc(OC)c(F)c2)c(Cl)c1.
What is the InChIKey of 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene?
The InChIKey is WOBHLNBDSDNJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(12(17)8-10)15(16)9-3-6-14(20-2)13(18)7-9/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene?
1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene has a molecular weight of 359.62 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-2-chloro-4-methoxybenzene is sourced from PubChem (CID 63443237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).