1-methyl-4-octylbenzene

C15H24 — CID 11052746

IUPAC1-methyl-4-octylbenzene
SMILESCCCCCCCCc1ccc(C)cc1
InChIInChI=1S/C15H24/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h10-13H,3-9H2,1-2H3
InChIKeyCVTWBOGILYVHIO-UHFFFAOYSA-N
MW204.36 g/mol
LogP4.90
Rot. Bonds7

About 1-methyl-4-octylbenzene

1-methyl-4-octylbenzene (PubChem CID 11052746) has the molecular formula C15H24 and a molecular weight of 204.36 g/mol. Its IUPAC name is 1-methyl-4-octylbenzene.

Molecular Properties

Compound Name1-methyl-4-octylbenzene
PubChem CID11052746
Molecular FormulaC15H24
Molecular Weight204.36 g/mol
Exact Mass204.19
IUPAC Name1-methyl-4-octylbenzene
SMILESCCCCCCCCc1ccc(C)cc1
InChIInChI=1S/C15H24/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h10-13H,3-9H2,1-2H3
InChIKeyCVTWBOGILYVHIO-UHFFFAOYSA-N
XLogP4.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-methyl-4-octylbenzene 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-hexyl-4-methylbenzene;toluene
CID 173071388
1-N,4-N-bis(4-methylphenyl)-1-N,4-N-bis(4-octylphenyl)benzene-1,4-diamine
CID 58273977
carbon dioxide;1-methyl-4-pentylbenzene
CID 161302666
4-methyl-N-(4-nonylphenyl)aniline
CID 71021938
4-methyl-N-(4-octylphenyl)aniline
CID 20625735
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
bis(4-methylphenyl)-(4-octylphenyl)sulfanium
CID 58445641
1-hexyl-4-(4-methylphenyl)sulfanylbenzene
CID 143882001
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
1-butyl-4-nonylbenzene
CID 59545302
1,4-diethylbenzene;bis(1-ethyl-4-methylbenzene);1-ethyl-4-propylbenzene;bis(1-methyl-4-pentylbenzene);1,4-xylene
CID 165022765
1-methyl-4-[2-[4-[2-(4-nonylphenyl)propan-2-yl]phenyl]propan-2-yl]benzene
CID 159793185

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-octylbenzene?
The IUPAC name of 1-methyl-4-octylbenzene (CID 11052746) is 1-methyl-4-octylbenzene.
What is the SMILES notation for 1-methyl-4-octylbenzene?
The canonical SMILES for 1-methyl-4-octylbenzene is CCCCCCCCc1ccc(C)cc1.
What is the InChIKey of 1-methyl-4-octylbenzene?
The InChIKey is CVTWBOGILYVHIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24/c1-3-4-5-6-7-8-9-15-12-10-14(2)11-13-15/h10-13H,3-9H2,1-2H3.
What are the key properties of 1-methyl-4-octylbenzene?
1-methyl-4-octylbenzene has a molecular weight of 204.36 g/mol, XLogP of 4.90, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-octylbenzene is sourced from PubChem (CID 11052746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).