1-bromo-3-ethyl-5-methylbenzene;ethane

C11H17Br — CID 142064327

IUPAC1-bromo-3-ethyl-5-methylbenzene;ethane
SMILESCC.CCc1cc(C)cc(Br)c1
InChIInChI=1S/C9H11Br.C2H6/c1-3-8-4-7(2)5-9(10)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyZRFLHXWFJAIDRH-UHFFFAOYSA-N
MW229.16 g/mol
LogP4.35
Rot. Bonds1

About 1-bromo-3-ethyl-5-methylbenzene;ethane

1-bromo-3-ethyl-5-methylbenzene;ethane (PubChem CID 142064327) has the molecular formula C11H17Br and a molecular weight of 229.16 g/mol. Its IUPAC name is 1-bromo-3-ethyl-5-methylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-3-ethyl-5-methylbenzene;ethane
PubChem CID142064327
Molecular FormulaC11H17Br
Molecular Weight229.16 g/mol
Exact Mass228.05
IUPAC Name1-bromo-3-ethyl-5-methylbenzene;ethane
SMILESCC.CCc1cc(C)cc(Br)c1
InChIInChI=1S/C9H11Br.C2H6/c1-3-8-4-7(2)5-9(10)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3
InChIKeyZRFLHXWFJAIDRH-UHFFFAOYSA-N
XLogP4.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-3,5-dimethylbenzene;ethane
CID 144646164
1-[(3,5-diethylphenyl)methyl]-3-ethyl-5-[(3-ethyl-5-methylphenyl)methyl]benzene
CID 159034335
N-[(3-bromo-5-methylphenyl)methyl]-N-methylhydroxylamine
CID 84793464
1-bromo-3,5-dimethylbenzene;methane;1,3,5-trimethylbenzene
CID 159079937
3-(3-bromo-5-methylphenyl)propanenitrile
CID 84789585
(3-ethyl-5-methylphenyl)phosphane
CID 89379399
2-bromo-1-(3-bromo-5-methylphenyl)pentan-3-one
CID 107579197
bis(1-ethyl-3,5-dimethylbenzene);naphthalene
CID 165102980
1-bromo-3-ethylbenzene;ethane
CID 143778556
N-[(3-bromo-5-methylphenyl)methyl]methanesulfonamide
CID 126558714
methyl 2-[(3-bromo-5-methylphenyl)methylamino]acetate
CID 176676852
ethyl 2-amino-3-(3-bromo-5-methylphenyl)propanoate
CID 5109385

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-ethyl-5-methylbenzene;ethane?
The IUPAC name of 1-bromo-3-ethyl-5-methylbenzene;ethane (CID 142064327) is 1-bromo-3-ethyl-5-methylbenzene;ethane.
What is the SMILES notation for 1-bromo-3-ethyl-5-methylbenzene;ethane?
The canonical SMILES for 1-bromo-3-ethyl-5-methylbenzene;ethane is CC.CCc1cc(C)cc(Br)c1.
What is the InChIKey of 1-bromo-3-ethyl-5-methylbenzene;ethane?
The InChIKey is ZRFLHXWFJAIDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Br.C2H6/c1-3-8-4-7(2)5-9(10)6-8;1-2/h4-6H,3H2,1-2H3;1-2H3.
What are the key properties of 1-bromo-3-ethyl-5-methylbenzene;ethane?
1-bromo-3-ethyl-5-methylbenzene;ethane has a molecular weight of 229.16 g/mol, XLogP of 4.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-ethyl-5-methylbenzene;ethane is sourced from PubChem (CID 142064327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).