2-bromo-1-ethoxy-4-methylbenzene;ethane

C11H17BrO — CID 143442482

IUPAC2-bromo-1-ethoxy-4-methylbenzene;ethane
SMILESCC.CCOc1ccc(C)cc1Br
InChIInChI=1S/C9H11BrO.C2H6/c1-3-11-9-5-4-7(2)6-8(9)10;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBJLSRWGVRPRWEL-UHFFFAOYSA-N
MW245.16 g/mol
LogP4.18
Rot. Bonds2

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

2-bromo-1-ethoxy-4-methylbenzene;ethane (PubChem CID 143442482) has the molecular formula C11H17BrO and a molecular weight of 245.16 g/mol. Its IUPAC name is 2-bromo-1-ethoxy-4-methylbenzene;ethane.

Molecular Properties

Compound Name2-bromo-1-ethoxy-4-methylbenzene;ethane
PubChem CID143442482
Molecular FormulaC11H17BrO
Molecular Weight245.16 g/mol
Exact Mass244.05
IUPAC Name2-bromo-1-ethoxy-4-methylbenzene;ethane
SMILESCC.CCOc1ccc(C)cc1Br
InChIInChI=1S/C9H11BrO.C2H6/c1-3-11-9-5-4-7(2)6-8(9)10;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyBJLSRWGVRPRWEL-UHFFFAOYSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.16
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 21057754
1-bromo-2-ethoxy-4-methylbenzene
CID 58741892
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2-bromo-1-(3-bromo-2,2-dimethylpropoxy)-4-methylbenzene
CID 64995276
2-bromo-4-methyl-1-(2-propoxyethoxy)benzene
CID 106452978
2-bromo-1-(3-bromo-2-methylpropoxy)-4-methylbenzene
CID 64996070
2-bromo-1-(3-methoxypropoxy)-4-methylbenzene
CID 60778653
(2S)-1-(2-bromo-4-methylphenoxy)-3-ethoxypropan-2-ol
CID 129402931
1-(2-bromo-4-methylphenoxy)butan-2-one
CID 62040640
2-(2-bromo-4-methylphenoxy)-N-ethylethanamine
CID 27186818
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
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CID 126120613

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethoxy-4-methylbenzene;ethane?
The IUPAC name of 2-bromo-1-ethoxy-4-methylbenzene;ethane (CID 143442482) is 2-bromo-1-ethoxy-4-methylbenzene;ethane.
What is the SMILES notation for 2-bromo-1-ethoxy-4-methylbenzene;ethane?
The canonical SMILES for 2-bromo-1-ethoxy-4-methylbenzene;ethane is CC.CCOc1ccc(C)cc1Br.
What is the InChIKey of 2-bromo-1-ethoxy-4-methylbenzene;ethane?
The InChIKey is BJLSRWGVRPRWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrO.C2H6/c1-3-11-9-5-4-7(2)6-8(9)10;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of 2-bromo-1-ethoxy-4-methylbenzene;ethane?
2-bromo-1-ethoxy-4-methylbenzene;ethane has a molecular weight of 245.16 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethoxy-4-methylbenzene;ethane is sourced from PubChem (CID 143442482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).