1-bromo-2-ethoxy-4-methylbenzene

C9H11BrO — CID 58741892

IUPAC1-bromo-2-ethoxy-4-methylbenzene
SMILESCCOc1cc(C)ccc1Br
InChIInChI=1S/C9H11BrO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3
InChIKeyFJBZRHMQCHDGOZ-UHFFFAOYSA-N
MW215.09 g/mol
LogP3.16
Rot. Bonds2

About 1-bromo-2-ethoxy-4-methylbenzene

1-bromo-2-ethoxy-4-methylbenzene (PubChem CID 58741892) has the molecular formula C9H11BrO and a molecular weight of 215.09 g/mol. Its IUPAC name is 1-bromo-2-ethoxy-4-methylbenzene.

Molecular Properties

Compound Name1-bromo-2-ethoxy-4-methylbenzene
PubChem CID58741892
Molecular FormulaC9H11BrO
Molecular Weight215.09 g/mol
Exact Mass214.00
IUPAC Name1-bromo-2-ethoxy-4-methylbenzene
SMILESCCOc1cc(C)ccc1Br
InChIInChI=1S/C9H11BrO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3
InChIKeyFJBZRHMQCHDGOZ-UHFFFAOYSA-N
XLogP3.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.09
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
4-bromo-3-ethoxyaniline
CID 7015503
4-bromo-3-ethoxy-N-methylaniline
CID 175242826
(2-bromo-5-methylphenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 81110926
(2S)-2-[(2-bromo-5-methylphenoxy)methyl]oxirane
CID 142614118
1-bromo-4-methyl-2-[(2R)-2-(4-methylphenyl)propoxy]benzene
CID 58823800
4-bromo-N-(2,4-dimethylphenyl)-3-ethoxybenzenesulfonamide
CID 39845518
CID 67422978
CID 67422978
4-bromo-3-ethoxybenzenesulfonamide
CID 47000870
1-ethoxy-2-fluoro-4-methylbenzene
CID 21057749
2-ethoxy-4-methyl-1-[(2-methylpropan-2-yl)oxy]benzene
CID 59637085
2,4-dibromo-1-[bromo-(2-ethoxy-5-methylphenyl)methyl]benzene
CID 107958857

Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-ethoxy-4-methylbenzene?
The IUPAC name of 1-bromo-2-ethoxy-4-methylbenzene (CID 58741892) is 1-bromo-2-ethoxy-4-methylbenzene.
What is the SMILES notation for 1-bromo-2-ethoxy-4-methylbenzene?
The canonical SMILES for 1-bromo-2-ethoxy-4-methylbenzene is CCOc1cc(C)ccc1Br.
What is the InChIKey of 1-bromo-2-ethoxy-4-methylbenzene?
The InChIKey is FJBZRHMQCHDGOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO/c1-3-11-9-6-7(2)4-5-8(9)10/h4-6H,3H2,1-2H3.
What are the key properties of 1-bromo-2-ethoxy-4-methylbenzene?
1-bromo-2-ethoxy-4-methylbenzene has a molecular weight of 215.09 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-ethoxy-4-methylbenzene is sourced from PubChem (CID 58741892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).