2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene

C29H36 — CID 173354909

IUPAC2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)c(C)c3)cc2)cc1
InChIInChI=1S/C29H36/c1-4-6-8-10-24-12-14-26(15-13-24)27-17-19-28(20-18-27)29-21-16-25(23(3)22-29)11-9-7-5-2/h12-22H,4-11H2,1-3H3
InChIKeyJQYZESIJBKXWAR-UHFFFAOYSA-N
MW384.61 g/mol
LogP8.79
Rot. Bonds10

About 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene

2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene (PubChem CID 173354909) has the molecular formula C29H36 and a molecular weight of 384.61 g/mol. Its IUPAC name is 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene.

Molecular Properties

Compound Name2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
PubChem CID173354909
Molecular FormulaC29H36
Molecular Weight384.61 g/mol
Exact Mass384.28
IUPAC Name2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)c(C)c3)cc2)cc1
InChIInChI=1S/C29H36/c1-4-6-8-10-24-12-14-26(15-13-24)27-17-19-28(20-18-27)29-21-16-25(23(3)22-29)11-9-7-5-2/h12-22H,4-11H2,1-3H3
InChIKeyJQYZESIJBKXWAR-UHFFFAOYSA-N
XLogP8.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.61
LogP ≤ 58.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
2-chloro-1-heptyl-4-(4-pentylphenyl)benzene
CID 67842492
4-ethyl-2-methyl-1-pentylbenzene
CID 143596455
2-fluoro-4-(4-heptylphenyl)-1-pentylbenzene
CID 67842495
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
2-fluoro-1-pentyl-4-(4-propylphenyl)benzene
CID 67842368
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
4-(chloromethyl)-1-dodecyl-2-methylbenzene
CID 102093767
1-(4-pentylphenyl)-4-[2-(4-propylphenyl)ethyl]benzene
CID 19906985
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The IUPAC name of 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene (CID 173354909) is 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene.
What is the SMILES notation for 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The canonical SMILES for 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene is CCCCCc1ccc(-c2ccc(-c3ccc(CCCCC)c(C)c3)cc2)cc1.
What is the InChIKey of 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene?
The InChIKey is JQYZESIJBKXWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36/c1-4-6-8-10-24-12-14-26(15-13-24)27-17-19-28(20-18-27)29-21-16-25(23(3)22-29)11-9-7-5-2/h12-22H,4-11H2,1-3H3.
What are the key properties of 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene?
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene has a molecular weight of 384.61 g/mol, XLogP of 8.79, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene is sourced from PubChem (CID 173354909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).