1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene

C16H17BrO2 — CID 63018011

IUPAC1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1cccc(CC(Br)c2ccccc2OC)c1
InChIInChI=1S/C16H17BrO2/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10,15H,11H2,1-2H3
InChIKeyAVFPEUNHIZXEOG-UHFFFAOYSA-N
MW321.21 g/mol
LogP4.38
Rot. Bonds5

About 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene

1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene (PubChem CID 63018011) has the molecular formula C16H17BrO2 and a molecular weight of 321.21 g/mol. Its IUPAC name is 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene.

Molecular Properties

Compound Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
PubChem CID63018011
Molecular FormulaC16H17BrO2
Molecular Weight321.21 g/mol
Exact Mass320.04
IUPAC Name1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
SMILESCOc1cccc(CC(Br)c2ccccc2OC)c1
InChIInChI=1S/C16H17BrO2/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10,15H,11H2,1-2H3
InChIKeyAVFPEUNHIZXEOG-UHFFFAOYSA-N
XLogP4.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.21
LogP ≤ 54.38
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-(3-methoxyphenyl)ethyl]-2,3-dichlorobenzene
CID 55224657
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-iodo-3-methylbenzene
CID 114029620
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-chloro-4-methoxybenzene
CID 63443659
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4,5-trifluorobenzene
CID 103304439
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63543083
1-[2-bromo-2-(4-fluorophenyl)ethyl]-3-methoxybenzene
CID 61086300
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,4-dichlorobenzene
CID 63444300
1-[1-bromo-2-(3-chlorophenyl)ethyl]-2,4-dimethoxybenzene
CID 63441796
3-[1-bromo-2-(3-methoxyphenyl)ethyl]-2,5-dimethylthiophene
CID 63440545
2-[1-bromo-2-(3-methoxyphenyl)ethyl]-1-ethoxy-4-methylbenzene
CID 63447610
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805

Frequently Asked Questions

What is the IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene?
The IUPAC name of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene (CID 63018011) is 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene.
What is the SMILES notation for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene?
The canonical SMILES for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene is COc1cccc(CC(Br)c2ccccc2OC)c1.
What is the InChIKey of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene?
The InChIKey is AVFPEUNHIZXEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrO2/c1-18-13-7-5-6-12(10-13)11-15(17)14-8-3-4-9-16(14)19-2/h3-10,15H,11H2,1-2H3.
What are the key properties of 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene?
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene has a molecular weight of 321.21 g/mol, XLogP of 4.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene is sourced from PubChem (CID 63018011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).