2-bromo-1-ethyl-3-phenylbenzene

C14H13Br — CID 174683375

IUPAC2-bromo-1-ethyl-3-phenylbenzene
SMILESCCc1cccc(-c2ccccc2)c1Br
InChIInChI=1S/C14H13Br/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h3-10H,2H2,1H3
InChIKeyKUCBVDQQHGNRBQ-UHFFFAOYSA-N
MW261.16 g/mol
LogP4.68
Rot. Bonds2

About 2-bromo-1-ethyl-3-phenylbenzene

2-bromo-1-ethyl-3-phenylbenzene (PubChem CID 174683375) has the molecular formula C14H13Br and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-bromo-1-ethyl-3-phenylbenzene.

Molecular Properties

Compound Name2-bromo-1-ethyl-3-phenylbenzene
PubChem CID174683375
Molecular FormulaC14H13Br
Molecular Weight261.16 g/mol
Exact Mass260.02
IUPAC Name2-bromo-1-ethyl-3-phenylbenzene
SMILESCCc1cccc(-c2ccccc2)c1Br
InChIInChI=1S/C14H13Br/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h3-10H,2H2,1H3
InChIKeyKUCBVDQQHGNRBQ-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

Analyze 2-bromo-1-ethyl-3-phenylbenzene with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-3-phenylbenzene?
The IUPAC name of 2-bromo-1-ethyl-3-phenylbenzene (CID 174683375) is 2-bromo-1-ethyl-3-phenylbenzene.
What is the SMILES notation for 2-bromo-1-ethyl-3-phenylbenzene?
The canonical SMILES for 2-bromo-1-ethyl-3-phenylbenzene is CCc1cccc(-c2ccccc2)c1Br.
What is the InChIKey of 2-bromo-1-ethyl-3-phenylbenzene?
The InChIKey is KUCBVDQQHGNRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Br/c1-2-11-9-6-10-13(14(11)15)12-7-4-3-5-8-12/h3-10H,2H2,1H3.
What are the key properties of 2-bromo-1-ethyl-3-phenylbenzene?
2-bromo-1-ethyl-3-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-1-ethyl-3-phenylbenzene is sourced from PubChem (CID 174683375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).