2-bromo-4-ethyl-1-phenylbenzene

C14H13Br — CID 123462348

IUPAC2-bromo-4-ethyl-1-phenylbenzene
SMILESCCc1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H13Br/c1-2-11-8-9-13(14(15)10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMHLGARIJARNGMB-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.68
Rot. Bonds2

About 2-bromo-4-ethyl-1-phenylbenzene

2-bromo-4-ethyl-1-phenylbenzene (PubChem CID 123462348) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-bromo-4-ethyl-1-phenylbenzene.

Molecular Properties

Compound Name2-bromo-4-ethyl-1-phenylbenzene
PubChem CID123462348
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name2-bromo-4-ethyl-1-phenylbenzene
SMILESCCc1ccc(-c2ccccc2)c(Br)c1
InChIInChI=1S/C14H13Br/c1-2-11-8-9-13(14(15)10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3
InChIKeyMHLGARIJARNGMB-UHFFFAOYSA-N
XLogP4.68
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-ethyl-1-phenylbenzene?
The IUPAC name of 2-bromo-4-ethyl-1-phenylbenzene (CID 123462348) is 2-bromo-4-ethyl-1-phenylbenzene.
What is the SMILES notation for 2-bromo-4-ethyl-1-phenylbenzene?
The canonical SMILES for 2-bromo-4-ethyl-1-phenylbenzene is CCc1ccc(-c2ccccc2)c(Br)c1.
What is the InChIKey of 2-bromo-4-ethyl-1-phenylbenzene?
The InChIKey is MHLGARIJARNGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-2-11-8-9-13(14(15)10-11)12-6-4-3-5-7-12/h3-10H,2H2,1H3.
What are the key properties of 2-bromo-4-ethyl-1-phenylbenzene?
2-bromo-4-ethyl-1-phenylbenzene has a molecular weight of 261.16 g/mol, XLogP of 4.68, 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-phenylbenzene is sourced from PubChem (CID 123462348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).