1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene

C24H25Br — CID 126599984

IUPAC1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)cc1
InChIInChI=1S/C24H25Br/c1-3-4-5-6-19-7-9-20(10-8-19)22-13-16-24(18(2)17-22)21-11-14-23(25)15-12-21/h7-17H,3-6H2,1-2H3
InChIKeyMLWUITKGIHUACK-UHFFFAOYSA-N
MW393.37 g/mol
LogP7.82
Rot. Bonds6

About 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene

1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene (PubChem CID 126599984) has the molecular formula C24H25Br and a molecular weight of 393.37 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
PubChem CID126599984
Molecular FormulaC24H25Br
Molecular Weight393.37 g/mol
Exact Mass392.11
IUPAC Name1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)cc1
InChIInChI=1S/C24H25Br/c1-3-4-5-6-19-7-9-20(10-8-19)22-13-16-24(18(2)17-22)21-11-14-23(25)15-12-21/h7-17H,3-6H2,1-2H3
InChIKeyMLWUITKGIHUACK-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.37
LogP ≤ 57.82
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

4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
CID 126599983
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
4-bromo-1-[4-bromo-2-(4-hexylphenyl)phenyl]-2-(4-hexylphenyl)benzene
CID 129157265
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
1-(4-bromophenyl)-4-[4-(4-bromophenyl)-3-methylphenyl]-2-methylbenzene
CID 167027161
1-bromo-4-dodecylbenzene
CID 15120506
1-bromo-4-hexadecylbenzene
CID 598602
1-bromo-4-tetradecylbenzene
CID 71337489
1,3-difluoro-5-[4-[4-(4-hexylphenyl)-2-methylphenyl]phenyl]-2-isothiocyanatobenzene
CID 126611194
2-methyl-1-pentyl-4-[4-(4-pentylphenyl)phenyl]benzene
CID 173354909
1,2,3-trimethyl-5-[4-(4-pentylphenyl)phenyl]benzene
CID 20683488
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene?
The IUPAC name of 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene (CID 126599984) is 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene.
What is the SMILES notation for 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene?
The canonical SMILES for 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(Br)cc3)c(C)c2)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene?
The InChIKey is MLWUITKGIHUACK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25Br/c1-3-4-5-6-19-7-9-20(10-8-19)22-13-16-24(18(2)17-22)21-11-14-23(25)15-12-21/h7-17H,3-6H2,1-2H3.
What are the key properties of 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene?
1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene has a molecular weight of 393.37 g/mol, XLogP of 7.82, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene is sourced from PubChem (CID 126599984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).