1-Hydroxypyrene

C16H10O — CID 21387

IUPACpyren-1-ol
SMILESC1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
InChIInChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
InChIKeyBIJNHUAPTJVVNQ-UHFFFAOYSA-N
MW218.25 g/mol
LogP4.60
Rot. Bonds

About 1-Hydroxypyrene

1-Hydroxypyrene (PubChem CID 21387) has the molecular formula C16H10O and a molecular weight of 218.25 g/mol. Its IUPAC name is pyren-1-ol.

Molecular Properties

Compound Name1-Hydroxypyrene
PubChem CID21387
Molecular FormulaC16H10O
Molecular Weight218.25 g/mol
Exact Mass218.07
IUPAC Namepyren-1-ol
SMILESC1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O
InChIInChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H
InChIKeyBIJNHUAPTJVVNQ-UHFFFAOYSA-N
XLogP4.60
TPSA20.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity300

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-Hydroxypyrene with MolForge

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

Launch Full Analysis

Related Compounds

2-Naphthol
CID 8663
1-Naphthol
CID 7005
9-Phenanthrol
CID 10229
4,4'-Butylidenebis(3-methyl-6-tert-butylphenol)
CID 6815
1,5-Dihydroxynaphthalene
CID 6749
trans-Ferruginol
CID 442027
Menadiol
CID 10209
(+)-Totarol
CID 92783
2,7-Naphthalenediol
CID 11397
3-Methylanthralin
CID 10288
1,8,9-Anthracenetriol
CID 10187
1,1'-Methylenebis(2-naphthalenol)
CID 14187

Frequently Asked Questions

What is the IUPAC name of 1-Hydroxypyrene?
The IUPAC name of 1-Hydroxypyrene (CID 21387) is pyren-1-ol.
What is the SMILES notation for 1-Hydroxypyrene?
The canonical SMILES for 1-Hydroxypyrene is C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)O.
What is the InChIKey of 1-Hydroxypyrene?
The InChIKey is BIJNHUAPTJVVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10O/c17-14-9-7-12-5-4-10-2-1-3-11-6-8-13(14)16(12)15(10)11/h1-9,17H.
What are the key properties of 1-Hydroxypyrene?
1-Hydroxypyrene has a molecular weight of 218.25 g/mol, XLogP of 4.60, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-Hydroxypyrene is sourced from PubChem (CID 21387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).