2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene

C17H19BrO2 — CID 63443300

IUPAC2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccccc1CC(Br)c1cc(C)ccc1OC
InChIInChI=1S/C17H19BrO2/c1-12-8-9-17(20-3)14(10-12)15(18)11-13-6-4-5-7-16(13)19-2/h4-10,15H,11H2,1-3H3
InChIKeyVAXDLIILZIZDQV-UHFFFAOYSA-N
MW335.24 g/mol
LogP4.69
Rot. Bonds5

About 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene

2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene (PubChem CID 63443300) has the molecular formula C17H19BrO2 and a molecular weight of 335.24 g/mol. Its IUPAC name is 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene.

Molecular Properties

Compound Name2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
PubChem CID63443300
Molecular FormulaC17H19BrO2
Molecular Weight335.24 g/mol
Exact Mass334.06
IUPAC Name2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene
SMILESCOc1ccccc1CC(Br)c1cc(C)ccc1OC
InChIInChI=1S/C17H19BrO2/c1-12-8-9-17(20-3)14(10-12)15(18)11-13-6-4-5-7-16(13)19-2/h4-10,15H,11H2,1-3H3
InChIKeyVAXDLIILZIZDQV-UHFFFAOYSA-N
XLogP4.69
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.24
LogP ≤ 54.69
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-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029621
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447650
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-4-chloro-2-methylbenzene
CID 114028164
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-5-methyl-1-benzofuran
CID 63542288
2-[1-chloro-2-(2-methylphenyl)ethyl]-1-methoxy-4-methylbenzene
CID 63434818
2-[1-bromo-2-(2-chlorophenyl)ethyl]-1,4-dimethoxybenzene
CID 63437142
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2-chloro-3-fluorobenzene
CID 81461469
3-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,5-dichlorothiophene
CID 63445258
3-(2-bromophenyl)-2-(2-methoxy-5-methylphenyl)propan-1-amine
CID 83974607
1,2-bis(2-methoxy-5-methylphenyl)ethanol
CID 115781516
1-[1-bromo-2-(2-methoxyphenyl)ethyl]-2,3,4-trifluorobenzene
CID 79756553
[1-(2-fluoro-5-methylphenyl)-2-(2-methoxyphenyl)ethyl]hydrazine
CID 105204947

Frequently Asked Questions

What is the IUPAC name of 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene?
The IUPAC name of 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene (CID 63443300) is 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene.
What is the SMILES notation for 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene?
The canonical SMILES for 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene is COc1ccccc1CC(Br)c1cc(C)ccc1OC.
What is the InChIKey of 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene?
The InChIKey is VAXDLIILZIZDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO2/c1-12-8-9-17(20-3)14(10-12)15(18)11-13-6-4-5-7-16(13)19-2/h4-10,15H,11H2,1-3H3.
What are the key properties of 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene?
2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene has a molecular weight of 335.24 g/mol, XLogP of 4.69, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-bromo-2-(2-methoxyphenyl)ethyl]-1-methoxy-4-methylbenzene is sourced from PubChem (CID 63443300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).