1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene

C15H13BrClFO2 — CID 63444828

IUPAC1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccccc2F)cc1OC
InChIInChI=1S/C15H13BrClFO2/c1-19-13-7-10(11(17)8-14(13)20-2)15(16)9-5-3-4-6-12(9)18/h3-8,15H,1-2H3
InChIKeyCXLZVBOFOUGDDM-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.98
Rot. Bonds4

About 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene

1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (PubChem CID 63444828) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
PubChem CID63444828
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
SMILESCOc1cc(Cl)c(C(Br)c2ccccc2F)cc1OC
InChIInChI=1S/C15H13BrClFO2/c1-19-13-7-10(11(17)8-14(13)20-2)15(16)9-5-3-4-6-12(9)18/h3-8,15H,1-2H3
InChIKeyCXLZVBOFOUGDDM-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-(2-bromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 63445141
1-bromo-4-[bromo-(2-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 105057401
2-[bromo-(2-fluorophenyl)methyl]-1-methoxy-4-methylbenzene
CID 63443769
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1-[bromo-(2-fluorophenyl)methyl]-2-fluorobenzene
CID 22565374
1-[bromo-(2,4-dibromophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958777
2-[bromo-(2-methoxyphenyl)methyl]-1,4-difluorobenzene
CID 61096891
1-[bromo-(2,6-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477523
1-chloro-2-[chloro-(5-chloro-2-fluorophenyl)methyl]-4,5-dimethoxybenzene
CID 63433124
1-[bromo-(3,4-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477519
1-[bromo-(5-bromo-2-methoxyphenyl)methyl]-2-chloro-3-fluorobenzene
CID 81461531
1-[chloro-(2-fluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61084472

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The IUPAC name of 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene (CID 63444828) is 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is COc1cc(Cl)c(C(Br)c2ccccc2F)cc1OC.
What is the InChIKey of 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
The InChIKey is CXLZVBOFOUGDDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-19-13-7-10(11(17)8-14(13)20-2)15(16)9-5-3-4-6-12(9)18/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene?
1-[bromo-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene 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-(2-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene is sourced from PubChem (CID 63444828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).