pyren-1-ol

C16H10O — CID 21387

IUPACpyren-1-ol
SMILESOc1ccc2ccc3cccc4ccc1c2c34
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
LogP4.29
Rot. Bonds

About pyren-1-ol

pyren-1-ol (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 Namepyren-1-ol
PubChem CID21387
Molecular FormulaC16H10O
Molecular Weight218.25 g/mol
Exact Mass218.07
IUPAC Namepyren-1-ol
SMILESOc1ccc2ccc3cccc4ccc1c2c34
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
XLogP4.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.25
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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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 pyren-1-ol?
The IUPAC name of pyren-1-ol (CID 21387) is pyren-1-ol.
What is the SMILES notation for pyren-1-ol?
The canonical SMILES for pyren-1-ol is Oc1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of pyren-1-ol?
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 pyren-1-ol?
pyren-1-ol has a molecular weight of 218.25 g/mol, XLogP of 4.29, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pyren-1-ol is sourced from PubChem (CID 21387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).