8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol

C25H30O2 — CID 142809566

IUPAC8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
SMILESCc1ccc(-c2ccc3cc(OCCCCCCCCO)ccc3c2)cc1
InChIInChI=1S/C25H30O2/c1-20-8-10-21(11-9-20)22-12-13-24-19-25(15-14-23(24)18-22)27-17-7-5-3-2-4-6-16-26/h8-15,18-19,26H,2-7,16-17H2,1H3
InChIKeyYRVALOKBAXZXBX-UHFFFAOYSA-N
MW362.51 g/mol
LogP6.53
Rot. Bonds10

About 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol

8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol (PubChem CID 142809566) has the molecular formula C25H30O2 and a molecular weight of 362.51 g/mol. Its IUPAC name is 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol.

Molecular Properties

Compound Name8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
PubChem CID142809566
Molecular FormulaC25H30O2
Molecular Weight362.51 g/mol
Exact Mass362.22
IUPAC Name8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol
SMILESCc1ccc(-c2ccc3cc(OCCCCCCCCO)ccc3c2)cc1
InChIInChI=1S/C25H30O2/c1-20-8-10-21(11-9-20)22-12-13-24-19-25(15-14-23(24)18-22)27-17-7-5-3-2-4-6-16-26/h8-15,18-19,26H,2-7,16-17H2,1H3
InChIKeyYRVALOKBAXZXBX-UHFFFAOYSA-N
XLogP6.53
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.51
LogP ≤ 56.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol?
The IUPAC name of 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol (CID 142809566) is 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol.
What is the SMILES notation for 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol?
The canonical SMILES for 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol is Cc1ccc(-c2ccc3cc(OCCCCCCCCO)ccc3c2)cc1.
What is the InChIKey of 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol?
The InChIKey is YRVALOKBAXZXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30O2/c1-20-8-10-21(11-9-20)22-12-13-24-19-25(15-14-23(24)18-22)27-17-7-5-3-2-4-6-16-26/h8-15,18-19,26H,2-7,16-17H2,1H3.
What are the key properties of 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol?
8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol has a molecular weight of 362.51 g/mol, XLogP of 6.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[6-(4-methylphenyl)naphthalen-2-yl]oxyoctan-1-ol is sourced from PubChem (CID 142809566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).