4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene

C15H13Br2ClO — CID 63442964

IUPAC4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C15H13Br2ClO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3
InChIKeyGVRSEUKRWNEIGA-UHFFFAOYSA-N
MW404.53 g/mol
LogP5.90
Rot. Bonds3

About 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene

4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene (PubChem CID 63442964) has the molecular formula C15H13Br2ClO and a molecular weight of 404.53 g/mol. Its IUPAC name is 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene.

Molecular Properties

Compound Name4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
PubChem CID63442964
Molecular FormulaC15H13Br2ClO
Molecular Weight404.53 g/mol
Exact Mass401.90
IUPAC Name4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene
SMILESCOc1ccc(C(Br)c2cc(Br)ccc2Cl)cc1C
InChIInChI=1S/C15H13Br2ClO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3
InChIKeyGVRSEUKRWNEIGA-UHFFFAOYSA-N
XLogP5.90
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 ≤ 55.90
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

(5-bromo-2-chlorophenyl)-(4-methoxy-3-methylphenyl)methanol
CID 61082254
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
4-bromo-2-[bromo-(4-methoxyphenyl)methyl]-1-chlorobenzene
CID 63437208
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844
4-bromo-1-chloro-2-[chloro-(3,4-dimethoxyphenyl)methyl]benzene
CID 63429005
2-bromo-1-[bromo-(4-methoxy-3-methylphenyl)methyl]-3-methylbenzene
CID 114023996
1-[bromo-(3-bromo-4-chlorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107991738
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
1-bromo-5-[bromo-(3,4-dichlorophenyl)methyl]-4-methoxy-2-methylbenzene
CID 65433000
(5-bromo-2-chlorophenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 61100484
4-bromo-2-[chloro-(4-methoxy-3-methylphenyl)methyl]-1-fluorobenzene
CID 63434154
1,4-dibromo-2-[bromo-(3-bromo-4-methoxyphenyl)methyl]benzene
CID 63438155

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene?
The IUPAC name of 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene (CID 63442964) is 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene.
What is the SMILES notation for 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene?
The canonical SMILES for 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene is COc1ccc(C(Br)c2cc(Br)ccc2Cl)cc1C.
What is the InChIKey of 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene?
The InChIKey is GVRSEUKRWNEIGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13Br2ClO/c1-9-7-10(3-6-14(9)19-2)15(17)12-8-11(16)4-5-13(12)18/h3-8,15H,1-2H3.
What are the key properties of 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene?
4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene has a molecular weight of 404.53 g/mol, XLogP of 5.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-[bromo-(4-methoxy-3-methylphenyl)methyl]-1-chlorobenzene is sourced from PubChem (CID 63442964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).