2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene

C16H16BrClO3 — CID 63434919

IUPAC2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2c(OC)cccc2OC)c(Br)c1
InChIInChI=1S/C16H16BrClO3/c1-19-10-7-8-11(12(17)9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3
InChIKeyDTHGOXJKWFJRIO-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.80
Rot. Bonds5

About 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene

2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene (PubChem CID 63434919) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
PubChem CID63434919
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene
SMILESCOc1ccc(C(Cl)c2c(OC)cccc2OC)c(Br)c1
InChIInChI=1S/C16H16BrClO3/c1-19-10-7-8-11(12(17)9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3
InChIKeyDTHGOXJKWFJRIO-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-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 61084322
2-bromo-1-[bromo-(2-fluoro-6-methoxyphenyl)methyl]-4-methoxybenzene
CID 65433099
1-[(2-bromo-4-chlorophenyl)-chloromethyl]-2,4-dimethoxybenzene
CID 107991463
(2-bromo-5-methoxyphenyl)-(2,6-dimethoxyphenyl)methanol
CID 105131581
1-bromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]-4-fluorobenzene
CID 63433665
2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
2-bromo-1-[(5-bromo-2-chlorophenyl)-chloromethyl]-4-methoxybenzene
CID 55197776
1,4-dibromo-2-[chloro-(2,4-dimethoxyphenyl)methyl]benzene
CID 63429476
1-[2-(2-bromo-4-methoxyphenoxy)-6-methoxyphenyl]ethanol
CID 104707975
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
3-[chloro-(2,6-dimethoxyphenyl)methyl]-2,5-dimethylthiophene
CID 61084593
4-[(4-amino-2-bromophenyl)-(2,6-dimethoxyphenyl)methyl]-3-bromoaniline
CID 166131884

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene (CID 63434919) is 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene is COc1ccc(C(Cl)c2c(OC)cccc2OC)c(Br)c1.
What is the InChIKey of 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene?
The InChIKey is DTHGOXJKWFJRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-19-10-7-8-11(12(17)9-10)16(18)15-13(20-2)5-4-6-14(15)21-3/h4-9,16H,1-3H3.
What are the key properties of 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene?
2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene 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 2-bromo-1-[chloro-(2,6-dimethoxyphenyl)methyl]-4-methoxybenzene is sourced from PubChem (CID 63434919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).