1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene

C28H34 — CID 19906985

IUPAC1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C28H34/c1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25/h9-12,15-22H,3-8,13-14H2,1-2H3
InChIKeyLCGFKZKNKJQKQD-UHFFFAOYSA-N
MW370.58 g/mol
LogP7.82
Rot. Bonds10

About 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene

1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene (PubChem CID 19906985) has the molecular formula C28H34 and a molecular weight of 370.58 g/mol. Its IUPAC name is 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
PubChem CID19906985
Molecular FormulaC28H34
Molecular Weight370.58 g/mol
Exact Mass370.27
IUPAC Name1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
SMILESCCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)cc1
InChIInChI=1S/C28H34/c1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25/h9-12,15-22H,3-8,13-14H2,1-2H3
InChIKeyLCGFKZKNKJQKQD-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.58
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-octyl-4-(4-octylphenyl)benzene
CID 22766415
4-(4-octadecylphenyl)benzenethiol
CID 134936183
1-pentadecyl-4-phenylbenzene
CID 57166115
3-[4-(4-pentylphenyl)phenyl]propan-1-ol
CID 86125819
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1-methyl-4-[4-[2-(4-propylphenyl)ethyl]phenyl]benzene
CID 140875006
1-(chloromethyl)-4-(4-nonylphenyl)benzene
CID 21284608
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765
4-(4-pentylphenyl)-N-[4-(4-pentylphenyl)phenyl]aniline
CID 70991869
2,3-difluoro-1-(4-pentylphenyl)-4-(4-propylphenyl)benzene
CID 14495749
2-fluoro-4-(4-heptylphenyl)-1-[2-(4-propylphenyl)ethyl]benzene
CID 19906984

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene?
The IUPAC name of 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene (CID 19906985) is 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene.
What is the SMILES notation for 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene?
The canonical SMILES for 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene is CCCCCc1ccc(-c2ccc(CCc3ccc(CCC)cc3)cc2)cc1.
What is the InChIKey of 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene?
The InChIKey is LCGFKZKNKJQKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34/c1-3-5-6-8-24-15-19-27(20-16-24)28-21-17-26(18-22-28)14-13-25-11-9-23(7-4-2)10-12-25/h9-12,15-22H,3-8,13-14H2,1-2H3.
What are the key properties of 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene?
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene has a molecular weight of 370.58 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene is sourced from PubChem (CID 19906985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).