1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene

C15H13BrCl2O2 — CID 63444752

IUPAC1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Br)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-11-5-10(6-12(8-11)20-2)15(16)9-3-4-13(17)14(18)7-9/h3-8,15H,1-2H3
InChIKeyZHVGQYGQGUTCJW-UHFFFAOYSA-N
MW376.08 g/mol
LogP5.49
Rot. Bonds4

About 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene

1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene (PubChem CID 63444752) has the molecular formula C15H13BrCl2O2 and a molecular weight of 376.08 g/mol. Its IUPAC name is 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
PubChem CID63444752
Molecular FormulaC15H13BrCl2O2
Molecular Weight376.08 g/mol
Exact Mass373.95
IUPAC Name1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(C(Br)c2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C15H13BrCl2O2/c1-19-11-5-10(6-12(8-11)20-2)15(16)9-3-4-13(17)14(18)7-9/h3-8,15H,1-2H3
InChIKeyZHVGQYGQGUTCJW-UHFFFAOYSA-N
XLogP5.49
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.08
LogP ≤ 55.49
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-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438789
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
4-[bromo-(4-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 63437327
4-[bromo-(4-chloro-3-fluorophenyl)methyl]-1,2-dichlorobenzene
CID 107991747
1-[bromo-(3,5-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477661
(3,4-dichlorophenyl)-(3-methoxyphenyl)methanol
CID 61083356
2-[bromo-(3,4-dichlorophenyl)methyl]-4-fluoro-1-methoxybenzene
CID 63441083
4-[bromo-(3,4-dichlorophenyl)methyl]-2-fluoro-1-methylbenzene
CID 55197637
4-[bromo-(3,4-dichlorophenyl)methyl]-2-methylfuran
CID 114822530
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
(2-bromo-4-methoxyphenyl)-(3,4-dichlorophenyl)methanamine
CID 60788475
1-[bromo-(4-methoxyphenyl)methyl]-3-chloro-5-methylbenzene
CID 81324402

Frequently Asked Questions

What is the IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene (CID 63444752) is 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene is COc1cc(OC)cc(C(Br)c2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene?
The InChIKey is ZHVGQYGQGUTCJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrCl2O2/c1-19-11-5-10(6-12(8-11)20-2)15(16)9-3-4-13(17)14(18)7-9/h3-8,15H,1-2H3.
What are the key properties of 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene?
1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene has a molecular weight of 376.08 g/mol, XLogP of 5.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bromo-(3,4-dichlorophenyl)methyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 63444752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).