2-bromo-4-ethyl-1-propan-2-ylbenzene

C11H15Br — CID 71164366

IUPAC2-bromo-4-ethyl-1-propan-2-ylbenzene
SMILESCCc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C11H15Br/c1-4-9-5-6-10(8(2)3)11(12)7-9/h5-8H,4H2,1-3H3
InChIKeyWIYGAXZJNZIWFP-UHFFFAOYSA-N
MW227.14 g/mol
LogP4.13
Rot. Bonds2

About 2-bromo-4-ethyl-1-propan-2-ylbenzene

2-bromo-4-ethyl-1-propan-2-ylbenzene (PubChem CID 71164366) has the molecular formula C11H15Br and a molecular weight of 227.14 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1-propan-2-ylbenzene.

Molecular Properties

Compound Name2-bromo-4-ethyl-1-propan-2-ylbenzene
PubChem CID71164366
Molecular FormulaC11H15Br
Molecular Weight227.14 g/mol
Exact Mass226.04
IUPAC Name2-bromo-4-ethyl-1-propan-2-ylbenzene
SMILESCCc1ccc(C(C)C)c(Br)c1
InChIInChI=1S/C11H15Br/c1-4-9-5-6-10(8(2)3)11(12)7-9/h5-8H,4H2,1-3H3
InChIKeyWIYGAXZJNZIWFP-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.14
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 2-bromo-4-ethyl-1-propan-2-ylbenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-bromo-4-propan-2-ylphenyl)methanamine
CID 83840012
2-butan-2-yl-4-ethyl-1-propan-2-ylbenzene
CID 123761837
3-(3-bromo-4-propan-2-ylphenyl)propanenitrile
CID 84804223
1-(3-bromo-4-propan-2-ylphenyl)-N-methoxymethanamine
CID 117398541
(Z)-2-(5-ethyl-2-propan-2-ylphenyl)ethenamine
CID 134408617
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
ethane;4-ethyl-1-methoxy-2-propan-2-ylbenzene
CID 142904344
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
3-[(3-bromo-4-propan-2-ylphenyl)methyl]pyrrolidine
CID 84812337
1-(3-bromo-4-pentan-3-ylphenyl)propan-2-amine
CID 117457500
2-(3-bromo-4-propan-2-ylphenyl)propan-1-ol
CID 105425131
tris(4-ethyl-2-propan-2-ylphenyl) phosphite
CID 139909258

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1-propan-2-ylbenzene?
The IUPAC name of 2-bromo-4-ethyl-1-propan-2-ylbenzene (CID 71164366) is 2-bromo-4-ethyl-1-propan-2-ylbenzene.
What is the SMILES notation for 2-bromo-4-ethyl-1-propan-2-ylbenzene?
The canonical SMILES for 2-bromo-4-ethyl-1-propan-2-ylbenzene is CCc1ccc(C(C)C)c(Br)c1.
What is the InChIKey of 2-bromo-4-ethyl-1-propan-2-ylbenzene?
The InChIKey is WIYGAXZJNZIWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Br/c1-4-9-5-6-10(8(2)3)11(12)7-9/h5-8H,4H2,1-3H3.
What are the key properties of 2-bromo-4-ethyl-1-propan-2-ylbenzene?
2-bromo-4-ethyl-1-propan-2-ylbenzene has a molecular weight of 227.14 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-ethyl-1-propan-2-ylbenzene is sourced from PubChem (CID 71164366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).