1-bromo-4-ethyl-2-(3-ethylphenyl)benzene

C16H17Br — CID 142855411

IUPAC1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2cc(CC)ccc2Br)c1
InChIInChI=1S/C16H17Br/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h5-11H,3-4H2,1-2H3
InChIKeyKKZPKXDJPZZGCQ-UHFFFAOYSA-N
MW289.22 g/mol
LogP5.24
Rot. Bonds3

About 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene

1-bromo-4-ethyl-2-(3-ethylphenyl)benzene (PubChem CID 142855411) has the molecular formula C16H17Br and a molecular weight of 289.22 g/mol. Its IUPAC name is 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
PubChem CID142855411
Molecular FormulaC16H17Br
Molecular Weight289.22 g/mol
Exact Mass288.05
IUPAC Name1-bromo-4-ethyl-2-(3-ethylphenyl)benzene
SMILESCCc1cccc(-c2cc(CC)ccc2Br)c1
InChIInChI=1S/C16H17Br/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h5-11H,3-4H2,1-2H3
InChIKeyKKZPKXDJPZZGCQ-UHFFFAOYSA-N
XLogP5.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.22
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene?
The IUPAC name of 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene (CID 142855411) is 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene?
The canonical SMILES for 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene is CCc1cccc(-c2cc(CC)ccc2Br)c1.
What is the InChIKey of 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene?
The InChIKey is KKZPKXDJPZZGCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Br/c1-3-12-6-5-7-14(10-12)15-11-13(4-2)8-9-16(15)17/h5-11H,3-4H2,1-2H3.
What are the key properties of 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene?
1-bromo-4-ethyl-2-(3-ethylphenyl)benzene has a molecular weight of 289.22 g/mol, XLogP of 5.24, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-ethyl-2-(3-ethylphenyl)benzene is sourced from PubChem (CID 142855411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).