1-bromo-3-phenylbenzene;ethane

C14H15Br — CID 163977967

IUPAC1-bromo-3-phenylbenzene;ethane
SMILESBrc1cccc(-c2ccccc2)c1.CC
InChIInChI=1S/C12H9Br.C2H6/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-2/h1-9H;1-2H3
InChIKeySVVIRXXZODNECH-UHFFFAOYSA-N
MW263.18 g/mol
LogP5.14
Rot. Bonds1

About 1-bromo-3-phenylbenzene;ethane

1-bromo-3-phenylbenzene;ethane (PubChem CID 163977967) has the molecular formula C14H15Br and a molecular weight of 263.18 g/mol. Its IUPAC name is 1-bromo-3-phenylbenzene;ethane.

Molecular Properties

Compound Name1-bromo-3-phenylbenzene;ethane
PubChem CID163977967
Molecular FormulaC14H15Br
Molecular Weight263.18 g/mol
Exact Mass262.04
IUPAC Name1-bromo-3-phenylbenzene;ethane
SMILESBrc1cccc(-c2ccccc2)c1.CC
InChIInChI=1S/C12H9Br.C2H6/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-2/h1-9H;1-2H3
InChIKeySVVIRXXZODNECH-UHFFFAOYSA-N
XLogP5.14
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.18
LogP ≤ 55.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-3-phenylbenzene;ethane 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 1-bromo-3-phenylbenzene;ethane?
The IUPAC name of 1-bromo-3-phenylbenzene;ethane (CID 163977967) is 1-bromo-3-phenylbenzene;ethane.
What is the SMILES notation for 1-bromo-3-phenylbenzene;ethane?
The canonical SMILES for 1-bromo-3-phenylbenzene;ethane is Brc1cccc(-c2ccccc2)c1.CC.
What is the InChIKey of 1-bromo-3-phenylbenzene;ethane?
The InChIKey is SVVIRXXZODNECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9Br.C2H6/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10;1-2/h1-9H;1-2H3.
What are the key properties of 1-bromo-3-phenylbenzene;ethane?
1-bromo-3-phenylbenzene;ethane has a molecular weight of 263.18 g/mol, XLogP of 5.14, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-phenylbenzene;ethane is sourced from PubChem (CID 163977967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).