1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene

C15H13Br2ClO — CID 65433369

IUPAC1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2ClO/c1-9-7-14(19-2)12(8-13(9)17)15(18)10-3-5-11(16)6-4-10/h3-8,15H,1-2H3
InChIKeyZMHLONLALOEEKB-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.86
Rot. Bonds3

About 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene

1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene (PubChem CID 65433369) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
PubChem CID65433369
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C15H13Br2ClO/c1-9-7-14(19-2)12(8-13(9)17)15(18)10-3-5-11(16)6-4-10/h3-8,15H,1-2H3
InChIKeyZMHLONLALOEEKB-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.53
LogP ≤ 55.86
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-[chloro-(4-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432015
1-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 107958956
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
1-bromo-5-[chloro-(5-chloro-2-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 82891475
1-bromo-5-[chloro-(2,5-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433952
1-bromo-5-[chloro-(2-iodophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432597
2-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene (CID 65433369) is 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene is COc1cc(C)c(Br)cc1C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene?
The InChIKey is ZMHLONLALOEEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-9-7-14(19-2)12(8-13(9)17)15(18)10-3-5-11(16)6-4-10/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene?
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene has a molecular weight of 404.53 g/mol, XLogP of 5.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65433369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).