1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene

C32H50O — CID 141394605

IUPAC1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
SMILESCc1ccc(CCCCCCCCCOCCCCCCCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C32H50O/c1-29-19-23-31(24-20-29)17-13-9-5-3-7-11-15-27-33-28-16-12-8-4-6-10-14-18-32-25-21-30(2)22-26-32/h19-26H,3-18,27-28H2,1-2H3
InChIKeyZJJHCSQFBVWXJT-UHFFFAOYSA-N
MW450.75 g/mol
LogP9.57
Rot. Bonds20

About 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene

1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene (PubChem CID 141394605) has the molecular formula C32H50O and a molecular weight of 450.75 g/mol. Its IUPAC name is 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene.

Molecular Properties

Compound Name1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
PubChem CID141394605
Molecular FormulaC32H50O
Molecular Weight450.75 g/mol
Exact Mass450.39
IUPAC Name1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene
SMILESCc1ccc(CCCCCCCCCOCCCCCCCCCc2ccc(C)cc2)cc1
InChIInChI=1S/C32H50O/c1-29-19-23-31(24-20-29)17-13-9-5-3-7-11-15-27-33-28-16-12-8-4-6-10-14-18-32-25-21-30(2)22-26-32/h19-26H,3-18,27-28H2,1-2H3
InChIKeyZJJHCSQFBVWXJT-UHFFFAOYSA-N
XLogP9.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds20
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.75
LogP ≤ 59.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]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

2-[5-(4-methylphenyl)pentoxy]ethanol
CID 57171652
2-[5-(4-methylphenyl)pentoxy]ethyl acetate
CID 57045041
1-methyl-4-[2-[4-[4-(4-methylphenyl)butyl]phenyl]ethyl]benzene
CID 4174966
1-methyl-4-(5-phenoxypentyl)benzene
CID 19755668
8-(8-phenyloctoxy)octylbenzene
CID 56628536
1-methyl-4-octylbenzene
CID 11052746
N-methyl-2-[4-(4-methylphenyl)butoxy]acetamide
CID 134579947
1-(5-fluoropentyl)-4-methylbenzene
CID 172812127
1-iodo-4-[4-[4-(4-iodophenyl)butoxy]butyl]benzene
CID 141318682
4-(5-propoxypentyl)phenol
CID 175182886
1-chloro-4-(7-hexoxyheptyl)benzene
CID 54103905
1-(6-chlorohexyl)-4-methylbenzene;ethane
CID 144525982

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene?
The IUPAC name of 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene (CID 141394605) is 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene.
What is the SMILES notation for 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene?
The canonical SMILES for 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene is Cc1ccc(CCCCCCCCCOCCCCCCCCCc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene?
The InChIKey is ZJJHCSQFBVWXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H50O/c1-29-19-23-31(24-20-29)17-13-9-5-3-7-11-15-27-33-28-16-12-8-4-6-10-14-18-32-25-21-30(2)22-26-32/h19-26H,3-18,27-28H2,1-2H3.
What are the key properties of 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene?
1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene has a molecular weight of 450.75 g/mol, XLogP of 9.57, 20 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[9-[9-(4-methylphenyl)nonoxy]nonyl]benzene is sourced from PubChem (CID 141394605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).