1-bromo-4-(4-propylphenyl)benzene

C15H15Br — CID 619019

IUPAC1-bromo-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3
InChIKeyDPERLOMMOVDOHH-UHFFFAOYSA-N
MW275.19 g/mol
LogP5.07
Rot. Bonds3

About 1-bromo-4-(4-propylphenyl)benzene

1-bromo-4-(4-propylphenyl)benzene (PubChem CID 619019) has the molecular formula C15H15Br and a molecular weight of 275.19 g/mol. Its IUPAC name is 1-bromo-4-(4-propylphenyl)benzene.

Molecular Properties

Compound Name1-bromo-4-(4-propylphenyl)benzene
PubChem CID619019
Molecular FormulaC15H15Br
Molecular Weight275.19 g/mol
Exact Mass274.04
IUPAC Name1-bromo-4-(4-propylphenyl)benzene
SMILESCCCc1ccc(-c2ccc(Br)cc2)cc1
InChIInChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3
InChIKeyDPERLOMMOVDOHH-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.19
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 1-bromo-4-(4-propylphenyl)benzene 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-4-(4-propylphenyl)benzene?
The IUPAC name of 1-bromo-4-(4-propylphenyl)benzene (CID 619019) is 1-bromo-4-(4-propylphenyl)benzene.
What is the SMILES notation for 1-bromo-4-(4-propylphenyl)benzene?
The canonical SMILES for 1-bromo-4-(4-propylphenyl)benzene is CCCc1ccc(-c2ccc(Br)cc2)cc1.
What is the InChIKey of 1-bromo-4-(4-propylphenyl)benzene?
The InChIKey is DPERLOMMOVDOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Br/c1-2-3-12-4-6-13(7-5-12)14-8-10-15(16)11-9-14/h4-11H,2-3H2,1H3.
What are the key properties of 1-bromo-4-(4-propylphenyl)benzene?
1-bromo-4-(4-propylphenyl)benzene has a molecular weight of 275.19 g/mol, XLogP of 5.07, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-(4-propylphenyl)benzene is sourced from PubChem (CID 619019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).