4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene

C17H19BrO — CID 63543083

IUPAC4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
SMILESCOc1ccccc1C(Br)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19BrO/c1-12-8-9-14(10-13(12)2)11-16(18)15-6-4-5-7-17(15)19-3/h4-10,16H,11H2,1-3H3
InChIKeyJXGXNJMCPVVBSZ-UHFFFAOYSA-N
MW319.24 g/mol
LogP4.99
Rot. Bonds4

About 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene

4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene (PubChem CID 63543083) has the molecular formula C17H19BrO and a molecular weight of 319.24 g/mol. Its IUPAC name is 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene.

Molecular Properties

Compound Name4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
PubChem CID63543083
Molecular FormulaC17H19BrO
Molecular Weight319.24 g/mol
Exact Mass318.06
IUPAC Name4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene
SMILESCOc1ccccc1C(Br)Cc1ccc(C)c(C)c1
InChIInChI=1S/C17H19BrO/c1-12-8-9-14(10-13(12)2)11-16(18)15-6-4-5-7-17(15)19-3/h4-10,16H,11H2,1-3H3
InChIKeyJXGXNJMCPVVBSZ-UHFFFAOYSA-N
XLogP4.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.24
LogP ≤ 54.99
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

1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-2,4-dimethoxybenzene
CID 63441842
1-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-2-methoxybenzene
CID 63542728
1-(1-bromo-2-phenylethyl)-2-methoxybenzene
CID 63017425
1-[1-bromo-2-(3-methoxyphenyl)ethyl]-2-methoxybenzene
CID 63018011
4-[2-bromo-2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylbenzene
CID 63439211
4-[2-bromo-2-(2-methoxyphenyl)ethyl]pyridine
CID 66453972
2-bromo-4-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-1-methoxybenzene
CID 63435707
3-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-methylthiophene
CID 79808976
2-[1-bromo-2-(3,4-dimethylphenyl)ethyl]-4-chloro-1-methylbenzene
CID 82891114
4-(2-bromo-3-methylbutyl)-1,2-dimethylbenzene
CID 63542558
2-(3,4-dimethylphenyl)-1-(5-fluoro-2-methoxyphenyl)-N-methylethanamine
CID 62551268
3-[1-bromo-2-(3,4-dimethoxyphenyl)ethyl]-2-methylfuran
CID 63017419

Frequently Asked Questions

What is the IUPAC name of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene?
The IUPAC name of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene (CID 63543083) is 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene.
What is the SMILES notation for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene?
The canonical SMILES for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene is COc1ccccc1C(Br)Cc1ccc(C)c(C)c1.
What is the InChIKey of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene?
The InChIKey is JXGXNJMCPVVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrO/c1-12-8-9-14(10-13(12)2)11-16(18)15-6-4-5-7-17(15)19-3/h4-10,16H,11H2,1-3H3.
What are the key properties of 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene?
4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene has a molecular weight of 319.24 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-bromo-2-(2-methoxyphenyl)ethyl]-1,2-dimethylbenzene is sourced from PubChem (CID 63543083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).