1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene

C15H12Br2F2O — CID 65434153

IUPAC1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1ccc(F)cc1F
InChIInChI=1S/C15H12Br2F2O/c1-8-5-14(20-2)11(7-12(8)16)15(17)10-4-3-9(18)6-13(10)19/h3-7,15H,1-2H3
InChIKeyOGHWNDNBHRGWTG-UHFFFAOYSA-N
MW406.06 g/mol
LogP5.53
Rot. Bonds3

About 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene

1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 65434153) has the molecular formula C15H12Br2F2O and a molecular weight of 406.06 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID65434153
Molecular FormulaC15H12Br2F2O
Molecular Weight406.06 g/mol
Exact Mass403.92
IUPAC Name1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1ccc(F)cc1F
InChIInChI=1S/C15H12Br2F2O/c1-8-5-14(20-2)11(7-12(8)16)15(17)10-4-3-9(18)6-13(10)19/h3-7,15H,1-2H3
InChIKeyOGHWNDNBHRGWTG-UHFFFAOYSA-N
XLogP5.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.06
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
1-(2-bromo-4-fluorophenyl)-1-(5-bromo-2-methoxy-4-methylphenyl)-N-methylmethanamine
CID 65433731
1-bromo-2-[bromo-(2,4-difluorophenyl)methyl]-4-fluorobenzene
CID 63442403
(5-bromo-2-methoxy-4-methylphenyl)-(5-fluoro-2-methylphenyl)methanamine
CID 65440106
1-bromo-2-[bromo-(2-fluoro-4-methoxyphenyl)methyl]-4-fluorobenzene
CID 63443408
1-bromo-5-[bromo-(5-chloro-2-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396538
1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-2,4-difluorobenzene
CID 65434254
1-bromo-5-[bromo-(2-bromo-4-chlorophenyl)methyl]-2-fluoro-4-methoxybenzene
CID 107992301
1-bromo-5-[bromo-(2-fluoro-5-methylphenyl)methyl]-2-fluoro-4-methoxybenzene
CID 103396584
1,4-dibromo-2-[bromo-(4-bromo-2-fluorophenyl)methyl]-5-methylbenzene
CID 81474119
1-bromo-2-[bromo-(5-bromo-2-methoxyphenyl)methyl]-4-fluorobenzene
CID 63435979
1,4-dibromo-2-[bromo-(2-fluoro-4-methylphenyl)methyl]-5-methylbenzene
CID 81470622

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene (CID 65434153) is 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene is COc1cc(C)c(Br)cc1C(Br)c1ccc(F)cc1F.
What is the InChIKey of 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is OGHWNDNBHRGWTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2F2O/c1-8-5-14(20-2)11(7-12(8)16)15(17)10-4-3-9(18)6-13(10)19/h3-7,15H,1-2H3.
What are the key properties of 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene?
1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 406.06 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[bromo-(2,4-difluorophenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65434153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).