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

C25H28O — CID 126599983

IUPAC4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C25H28O/c1-4-5-6-7-20-8-10-22(11-9-20)25-17-14-23(18-19(25)2)21-12-15-24(26-3)16-13-21/h8-18H,4-7H2,1-3H3
InChIKeyQJGNRUDBHPIVIM-UHFFFAOYSA-N
MW344.50 g/mol
LogP7.07
Rot. Bonds7

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

4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene (PubChem CID 126599983) has the molecular formula C25H28O and a molecular weight of 344.50 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
PubChem CID126599983
Molecular FormulaC25H28O
Molecular Weight344.50 g/mol
Exact Mass344.21
IUPAC Name4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene
SMILESCCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C)cc1
InChIInChI=1S/C25H28O/c1-4-5-6-7-20-8-10-22(11-9-20)25-17-14-23(18-19(25)2)21-12-15-24(26-3)16-13-21/h8-18H,4-7H2,1-3H3
InChIKeyQJGNRUDBHPIVIM-UHFFFAOYSA-N
XLogP7.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.50
LogP ≤ 57.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-bromophenyl)-2-methyl-4-(4-pentylphenyl)benzene
CID 126599984
2-methyl-1-[4-[(2R)-octan-2-yl]oxyphenyl]-4-[4-(4-octylphenyl)phenyl]benzene
CID 132938317
1,2,3,4-tetrakis(4-dodecylphenyl)-5,6-bis[4-(4-methoxyphenyl)phenyl]benzene
CID 145196769
4-[4-(4-butylphenyl)-3-methylphenyl]phenol
CID 71093934
[3-methyl-4-(4-pentylphenyl)phenyl]methanol
CID 134271046
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-[2-[4-(4-hexylphenyl)phenyl]-5-methoxyphenoxy]ethanamine
CID 138570571
[4-[4-(4-decylphenyl)-2-methylphenyl]phenyl] 4-[(2S)-octan-2-yl]oxybenzoate
CID 102152801
4-(4-butylphenyl)-1-[4-(4-butylphenyl)-2-methylphenyl]-2-propylbenzene
CID 159588973
2-methyl-6-(4-octylphenyl)naphthalene
CID 59917182

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene?
The IUPAC name of 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene (CID 126599983) is 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene.
What is the SMILES notation for 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene?
The canonical SMILES for 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene is CCCCCc1ccc(-c2ccc(-c3ccc(OC)cc3)cc2C)cc1.
What is the InChIKey of 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene?
The InChIKey is QJGNRUDBHPIVIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O/c1-4-5-6-7-20-8-10-22(11-9-20)25-17-14-23(18-19(25)2)21-12-15-24(26-3)16-13-21/h8-18H,4-7H2,1-3H3.
What are the key properties of 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene?
4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene has a molecular weight of 344.50 g/mol, XLogP of 7.07, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-2-methyl-1-(4-pentylphenyl)benzene is sourced from PubChem (CID 126599983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).