1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene

C12H17Br — CID 174819703

IUPAC1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(C(C)Br)c(C)c1C
InChIInChI=1S/C12H17Br/c1-5-11-6-7-12(10(4)13)9(3)8(11)2/h6-7,10H,5H2,1-4H3
InChIKeyRYDFCYJORPNPRP-UHFFFAOYSA-N
MW241.17 g/mol
LogP4.32
Rot. Bonds2

About 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene

1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene (PubChem CID 174819703) has the molecular formula C12H17Br and a molecular weight of 241.17 g/mol. Its IUPAC name is 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
PubChem CID174819703
Molecular FormulaC12H17Br
Molecular Weight241.17 g/mol
Exact Mass240.05
IUPAC Name1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene
SMILESCCc1ccc(C(C)Br)c(C)c1C
InChIInChI=1S/C12H17Br/c1-5-11-6-7-12(10(4)13)9(3)8(11)2/h6-7,10H,5H2,1-4H3
InChIKeyRYDFCYJORPNPRP-UHFFFAOYSA-N
XLogP4.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.17
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2,3-dimethyl-4-propan-2-ylbenzene
CID 145053588
ethene;1-(4-ethyl-2,3-dimethylphenyl)-N,N-dimethylethanamine;methanimine
CID 143623031
1-ethyl-2,3-dimethyl-4-propylbenzene
CID 86110138
azane;1-(chloromethyl)-4-ethyl-2,3-dimethylbenzene
CID 66619297
1-(1-bromoethyl)-8-ethylnaphthalene
CID 174593653
1-(hydroperoxymethyl)-2,3-dimethyl-4-propan-2-ylbenzene
CID 88802357
1-bromo-4-(1-bromoethyl)-3-fluoro-2-methylbenzene
CID 171643436
3-chloro-1-ethyl-2,4-dimethylbenzene
CID 141381436
4-(1-bromoethyl)benzene-1,2,3-triol
CID 139940649
1-(3-ethyl-2-methylphenyl)propan-2-amine
CID 134425754
ethyl 5-bromo-2-(1-bromoethyl)benzoate
CID 174594973
1,5-bis(3-hydroxy-2-methyl-4-propan-2-ylphenyl)pentan-3-one
CID 140967853

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene?
The IUPAC name of 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene (CID 174819703) is 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene.
What is the SMILES notation for 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene?
The canonical SMILES for 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene is CCc1ccc(C(C)Br)c(C)c1C.
What is the InChIKey of 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene?
The InChIKey is RYDFCYJORPNPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Br/c1-5-11-6-7-12(10(4)13)9(3)8(11)2/h6-7,10H,5H2,1-4H3.
What are the key properties of 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene?
1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene has a molecular weight of 241.17 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromoethyl)-4-ethyl-2,3-dimethylbenzene is sourced from PubChem (CID 174819703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).