1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene

C15H12Br2Cl2O — CID 65433000

IUPAC1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Br2Cl2O/c1-8-5-14(20-2)10(7-11(8)16)15(17)9-3-4-12(18)13(19)6-9/h3-7,15H,1-2H3
InChIKeyIZSSHNOERPAAOL-UHFFFAOYSA-N
MW438.97 g/mol
LogP6.56
Rot. Bonds3

About 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene

1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene (PubChem CID 65433000) has the molecular formula C15H12Br2Cl2O and a molecular weight of 438.97 g/mol. Its IUPAC name is 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
PubChem CID65433000
Molecular FormulaC15H12Br2Cl2O
Molecular Weight438.97 g/mol
Exact Mass435.86
IUPAC Name1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
SMILESCOc1cc(C)c(Br)cc1C(Br)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C15H12Br2Cl2O/c1-8-5-14(20-2)10(7-11(8)16)15(17)9-3-4-12(18)13(19)6-9/h3-7,15H,1-2H3
InChIKeyIZSSHNOERPAAOL-UHFFFAOYSA-N
XLogP6.56
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.97
LogP ≤ 56.56
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-(3-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65432224
1-bromo-4-[bromo-(3-bromo-4-chlorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992248
(3-bromo-4-chlorophenyl)-(5-bromo-2-methoxy-4-methylphenyl)methanamine
CID 107998788
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
3-[bromo-(5-bromo-2-methoxy-4-methylphenyl)methyl]thiophene
CID 65432606
1-bromo-5-[bromo-(2-bromophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433576
1-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438789
4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
CID 63442964
1-bromo-4-[bromo-(4-chloro-3-fluorophenyl)methyl]-2,5-dimethoxybenzene
CID 107992249
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(3,4-dichlorophenyl)ethanamine
CID 65440865
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369

Frequently Asked Questions

What is the IUPAC name of 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The IUPAC name of 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene (CID 65433000) is 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene is COc1cc(C)c(Br)cc1C(Br)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
The InChIKey is IZSSHNOERPAAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2Cl2O/c1-8-5-14(20-2)10(7-11(8)16)15(17)9-3-4-12(18)13(19)6-9/h3-7,15H,1-2H3.
What are the key properties of 1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene?
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene has a molecular weight of 438.97 g/mol, XLogP of 6.56, 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-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene is sourced from PubChem (CID 65433000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).