perylene;phenol

C26H18O — CID 88796717

IUPACperylene;phenol
SMILESOc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6O/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-6-4-2-1-3-5-6/h1-12H;1-5,7H
InChIKeyOQYSMLDTDHYIMT-UHFFFAOYSA-N
MW346.43 g/mol
LogP7.13
Rot. Bonds

About perylene;phenol

perylene;phenol (PubChem CID 88796717) has the molecular formula C26H18O and a molecular weight of 346.43 g/mol. Its IUPAC name is perylene;phenol.

Molecular Properties

Compound Nameperylene;phenol
PubChem CID88796717
Molecular FormulaC26H18O
Molecular Weight346.43 g/mol
Exact Mass346.14
IUPAC Nameperylene;phenol
SMILESOc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H6O/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-6-4-2-1-3-5-6/h1-12H;1-5,7H
InChIKeyOQYSMLDTDHYIMT-UHFFFAOYSA-N
XLogP7.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze perylene;phenol 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 perylene;phenol?
The IUPAC name of perylene;phenol (CID 88796717) is perylene;phenol.
What is the SMILES notation for perylene;phenol?
The canonical SMILES for perylene;phenol is Oc1ccccc1.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of perylene;phenol?
The InChIKey is OQYSMLDTDHYIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C6H6O/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;7-6-4-2-1-3-5-6/h1-12H;1-5,7H.
What are the key properties of perylene;phenol?
perylene;phenol has a molecular weight of 346.43 g/mol, XLogP of 7.13, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for perylene;phenol is sourced from PubChem (CID 88796717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).