1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene

C15H13BrClFO2 — CID 63433665

IUPAC1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(14(8-10)20-2)15(17)12-7-9(18)3-6-13(12)16/h3-8,15H,1-2H3
InChIKeyZOZHKALNFLXUNQ-UHFFFAOYSA-N
MW359.62 g/mol
LogP4.93
Rot. Bonds4

About 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene

1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene (PubChem CID 63433665) has the molecular formula C15H13BrClFO2 and a molecular weight of 359.62 g/mol. Its IUPAC name is 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene.

Molecular Properties

Compound Name1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
PubChem CID63433665
Molecular FormulaC15H13BrClFO2
Molecular Weight359.62 g/mol
Exact Mass357.98
IUPAC Name1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
SMILESCOc1ccc(C(Cl)c2cc(F)ccc2Br)c(OC)c1
InChIInChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(14(8-10)20-2)15(17)12-7-9(18)3-6-13(12)16/h3-8,15H,1-2H3
InChIKeyZOZHKALNFLXUNQ-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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

1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
1-bromo-5-[(2-bromo-5-fluorophenyl)-chloromethyl]-2-fluoro-4-methoxybenzene
CID 103396203
(2-bromo-5-fluorophenyl)-(2,4-dimethoxyphenyl)methanamine
CID 43197258
1-[(2-bromo-5-fluorophenyl)-chloromethyl]-4,5-dimethoxy-2-methylbenzene
CID 63435216
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
1-[chloro-(2,4-dimethoxyphenyl)methyl]-2,4,5-trifluorobenzene
CID 103304043
2-[(4-bromo-2-methoxyphenyl)-chloromethyl]-1,4-difluorobenzene
CID 113296141
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-bromo-2-[chloro-(2-fluoro-4-methoxyphenyl)methyl]-4-iodobenzene
CID 114026269
1-bromo-2-[chloro-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63433650
1-[chloro-(2-fluoro-5-methylphenyl)methyl]-2,4-dimethoxybenzene
CID 62511020
(2-bromo-5-methoxyphenyl)-(2-chloro-5-fluorophenyl)methanamine
CID 105396903

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene?
The IUPAC name of 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene (CID 63433665) is 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene.
What is the SMILES notation for 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene?
The canonical SMILES for 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene is COc1ccc(C(Cl)c2cc(F)ccc2Br)c(OC)c1.
What is the InChIKey of 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene?
The InChIKey is ZOZHKALNFLXUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO2/c1-19-10-4-5-11(14(8-10)20-2)15(17)12-7-9(18)3-6-13(12)16/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene?
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene has a molecular weight of 359.62 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene is sourced from PubChem (CID 63433665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).