2-methyl-6-(4-octylphenyl)naphthalene

C25H30 — CID 59917182

IUPAC2-methyl-6-(4-octylphenyl)naphthalene
SMILESCCCCCCCCc1ccc(-c2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C25H30/c1-3-4-5-6-7-8-9-21-11-14-22(15-12-21)24-17-16-23-18-20(2)10-13-25(23)19-24/h10-19H,3-9H2,1-2H3
InChIKeyGZSNGDXRHANMKO-UHFFFAOYSA-N
MW330.52 g/mol
LogP7.72
Rot. Bonds8

About 2-methyl-6-(4-octylphenyl)naphthalene

2-methyl-6-(4-octylphenyl)naphthalene (PubChem CID 59917182) has the molecular formula C25H30 and a molecular weight of 330.52 g/mol. Its IUPAC name is 2-methyl-6-(4-octylphenyl)naphthalene.

Molecular Properties

Compound Name2-methyl-6-(4-octylphenyl)naphthalene
PubChem CID59917182
Molecular FormulaC25H30
Molecular Weight330.52 g/mol
Exact Mass330.23
IUPAC Name2-methyl-6-(4-octylphenyl)naphthalene
SMILESCCCCCCCCc1ccc(-c2ccc3cc(C)ccc3c2)cc1
InChIInChI=1S/C25H30/c1-3-4-5-6-7-8-9-21-11-14-22(15-12-21)24-17-16-23-18-20(2)10-13-25(23)19-24/h10-19H,3-9H2,1-2H3
InChIKeyGZSNGDXRHANMKO-UHFFFAOYSA-N
XLogP7.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.52
LogP ≤ 57.72
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

1-methyl-4-octylbenzene
CID 11052746
7,20-bis(4-dodecylphenyl)hexacyclo[12.12.0.02,11.05,10.015,24.018,23]hexacosa-1(14),2(11),3,5(10),6,8,12,15(24),16,18(23),19,21,25-tridecaene
CID 58411450
1-octyl-4-(4-octylphenyl)benzene
CID 22766415
[4-[4-(6-hexylnaphthalen-2-yl)phenyl]phenyl]methanamine
CID 150718553
2,4-bis(2,4-dimethylphenyl)-6-[4-(4-hexylphenyl)phenyl]-1,3,5-triazine
CID 118244537
6-decyl-2-(6-decylazulen-2-yl)azulene
CID 177425014
2-methyl-6-[2-[4-(6-methylnaphthalen-2-yl)phenyl]ethyl]anthracene
CID 145465634
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
2-but-3-enyl-6-(4-pentylphenyl)naphthalene
CID 139860505
1-methyl-4-(4-octylphenoxy)benzene
CID 174658357
1,3-bis[4-[2-[4-(4-hexylphenyl)phenyl]ethyl]phenyl]benzene
CID 58085049
1,3-bis[4-[2-(4-hexylphenyl)ethyl]phenyl]benzene
CID 58085021

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-octylphenyl)naphthalene?
The IUPAC name of 2-methyl-6-(4-octylphenyl)naphthalene (CID 59917182) is 2-methyl-6-(4-octylphenyl)naphthalene.
What is the SMILES notation for 2-methyl-6-(4-octylphenyl)naphthalene?
The canonical SMILES for 2-methyl-6-(4-octylphenyl)naphthalene is CCCCCCCCc1ccc(-c2ccc3cc(C)ccc3c2)cc1.
What is the InChIKey of 2-methyl-6-(4-octylphenyl)naphthalene?
The InChIKey is GZSNGDXRHANMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30/c1-3-4-5-6-7-8-9-21-11-14-22(15-12-21)24-17-16-23-18-20(2)10-13-25(23)19-24/h10-19H,3-9H2,1-2H3.
What are the key properties of 2-methyl-6-(4-octylphenyl)naphthalene?
2-methyl-6-(4-octylphenyl)naphthalene has a molecular weight of 330.52 g/mol, XLogP of 7.72, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-octylphenyl)naphthalene is sourced from PubChem (CID 59917182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).