1-methyl-3-[8-(3-methylphenyl)octyl]benzene

C22H30 — CID 22920080

IUPAC1-methyl-3-[8-(3-methylphenyl)octyl]benzene
SMILESCc1cccc(CCCCCCCCc2cccc(C)c2)c1
InChIInChI=1S/C22H30/c1-19-11-9-15-21(17-19)13-7-5-3-4-6-8-14-22-16-10-12-20(2)18-22/h9-12,15-18H,3-8,13-14H2,1-2H3
InChIKeyDVHNJJDTWGNYHE-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.43
Rot. Bonds9

About 1-methyl-3-[8-(3-methylphenyl)octyl]benzene

1-methyl-3-[8-(3-methylphenyl)octyl]benzene (PubChem CID 22920080) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is 1-methyl-3-[8-(3-methylphenyl)octyl]benzene.

Molecular Properties

Compound Name1-methyl-3-[8-(3-methylphenyl)octyl]benzene
PubChem CID22920080
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Name1-methyl-3-[8-(3-methylphenyl)octyl]benzene
SMILESCc1cccc(CCCCCCCCc2cccc(C)c2)c1
InChIInChI=1S/C22H30/c1-19-11-9-15-21(17-19)13-7-5-3-4-6-8-14-22-16-10-12-20(2)18-22/h9-12,15-18H,3-8,13-14H2,1-2H3
InChIKeyDVHNJJDTWGNYHE-UHFFFAOYSA-N
XLogP6.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.43
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

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CID 143267779
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CID 123837284
ethane;4-(3-methylphenyl)butan-1-amine
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3-(3-methylphenyl)propan-1-amine
CID 12666388
3-[8-(3-methylphenyl)octyl]bicyclo[4.2.0]octa-1(6),2,4-triene
CID 58151344
2-methyl-8-(3-methylphenyl)octan-2-ol
CID 143822225
1-butyl-3-methylbenzene;ethane;propane
CID 142068173
1-methyl-3-(6-methylidenenonyl)benzene
CID 143689147
2-(3-methylphenyl)ethanolate
CID 142208639
1-methyl-3-[(8E,11E)-pentadeca-8,11,14-trienyl]benzene
CID 142383088
5-(3-methylphenyl)pentan-2-amine
CID 64502928

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[8-(3-methylphenyl)octyl]benzene?
The IUPAC name of 1-methyl-3-[8-(3-methylphenyl)octyl]benzene (CID 22920080) is 1-methyl-3-[8-(3-methylphenyl)octyl]benzene.
What is the SMILES notation for 1-methyl-3-[8-(3-methylphenyl)octyl]benzene?
The canonical SMILES for 1-methyl-3-[8-(3-methylphenyl)octyl]benzene is Cc1cccc(CCCCCCCCc2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-[8-(3-methylphenyl)octyl]benzene?
The InChIKey is DVHNJJDTWGNYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30/c1-19-11-9-15-21(17-19)13-7-5-3-4-6-8-14-22-16-10-12-20(2)18-22/h9-12,15-18H,3-8,13-14H2,1-2H3.
What are the key properties of 1-methyl-3-[8-(3-methylphenyl)octyl]benzene?
1-methyl-3-[8-(3-methylphenyl)octyl]benzene has a molecular weight of 294.48 g/mol, XLogP of 6.43, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[8-(3-methylphenyl)octyl]benzene is sourced from PubChem (CID 22920080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).