phenyl(pyren-4-yl)methanol

C23H16O — CID 10733609

IUPACphenyl(pyren-4-yl)methanol
SMILESOC(c1ccccc1)c1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C23H16O/c24-23(17-6-2-1-3-7-17)20-14-18-10-4-8-15-12-13-16-9-5-11-19(20)22(16)21(15)18/h1-14,23-24H
InChIKeyZIMCJLDYJIQFCA-UHFFFAOYSA-N
MW308.38 g/mol
LogP5.67
Rot. Bonds2

About phenyl(pyren-4-yl)methanol

phenyl(pyren-4-yl)methanol (PubChem CID 10733609) has the molecular formula C23H16O and a molecular weight of 308.38 g/mol. Its IUPAC name is phenyl(pyren-4-yl)methanol.

Molecular Properties

Compound Namephenyl(pyren-4-yl)methanol
PubChem CID10733609
Molecular FormulaC23H16O
Molecular Weight308.38 g/mol
Exact Mass308.12
IUPAC Namephenyl(pyren-4-yl)methanol
SMILESOC(c1ccccc1)c1cc2cccc3ccc4cccc1c4c32
InChIInChI=1S/C23H16O/c24-23(17-6-2-1-3-7-17)20-14-18-10-4-8-15-12-13-16-9-5-11-19(20)22(16)21(15)18/h1-14,23-24H
InChIKeyZIMCJLDYJIQFCA-UHFFFAOYSA-N
XLogP5.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.38
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze phenyl(pyren-4-yl)methanol 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 phenyl(pyren-4-yl)methanol?
The IUPAC name of phenyl(pyren-4-yl)methanol (CID 10733609) is phenyl(pyren-4-yl)methanol.
What is the SMILES notation for phenyl(pyren-4-yl)methanol?
The canonical SMILES for phenyl(pyren-4-yl)methanol is OC(c1ccccc1)c1cc2cccc3ccc4cccc1c4c32.
What is the InChIKey of phenyl(pyren-4-yl)methanol?
The InChIKey is ZIMCJLDYJIQFCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16O/c24-23(17-6-2-1-3-7-17)20-14-18-10-4-8-15-12-13-16-9-5-11-19(20)22(16)21(15)18/h1-14,23-24H.
What are the key properties of phenyl(pyren-4-yl)methanol?
phenyl(pyren-4-yl)methanol has a molecular weight of 308.38 g/mol, XLogP of 5.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(pyren-4-yl)methanol is sourced from PubChem (CID 10733609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).