1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene

C16H16BrClO3 — CID 61084783

IUPAC1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccccc2OC)cc1OC
InChIInChI=1S/C16H16BrClO3/c1-19-13-7-5-4-6-10(13)16(18)11-8-14(20-2)15(21-3)9-12(11)17/h4-9,16H,1-3H3
InChIKeyCFXYRISKKMNRGJ-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.80
Rot. Bonds5

About 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene

1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene (PubChem CID 61084783) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene.

Molecular Properties

Compound Name1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
PubChem CID61084783
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
SMILESCOc1cc(Br)c(C(Cl)c2ccccc2OC)cc1OC
InChIInChI=1S/C16H16BrClO3/c1-19-13-7-5-4-6-10(13)16(18)11-8-14(20-2)15(21-3)9-12(11)17/h4-9,16H,1-3H3
InChIKeyCFXYRISKKMNRGJ-UHFFFAOYSA-N
XLogP4.80
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bromo-2-[chloro-(2-fluoro-3-methylphenyl)methyl]-4,5-dimethoxybenzene
CID 81481122
1-bromo-2-[(2-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991493
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-bromo-2-[(3-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432172
1-bromo-2-[chloro-(2,4-dimethylphenyl)methyl]-4,5-dimethoxybenzene
CID 63432395
1-bromo-2-[(5-bromo-2-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432256
2-[(2-bromo-4,5-dimethoxyphenyl)-chloromethyl]thiophene
CID 61085407
1-bromo-5-[(2-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65432019
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
1-bromo-2-[(3-bromo-4-chlorophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 107991491
1-bromo-4-[bromo-(2-bromophenyl)methyl]-2,5-dimethoxybenzene
CID 105057367
1,4-dibromo-2-[(5-bromo-2-methoxyphenyl)-chloromethyl]benzene
CID 114374882

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene?
The IUPAC name of 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene (CID 61084783) is 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene.
What is the SMILES notation for 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene?
The canonical SMILES for 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene is COc1cc(Br)c(C(Cl)c2ccccc2OC)cc1OC.
What is the InChIKey of 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene?
The InChIKey is CFXYRISKKMNRGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-19-13-7-5-4-6-10(13)16(18)11-8-14(20-2)15(21-3)9-12(11)17/h4-9,16H,1-3H3.
What are the key properties of 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene?
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene has a molecular weight of 371.66 g/mol, XLogP of 4.80, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene is sourced from PubChem (CID 61084783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).