3,6,8-trimethylpyren-1-ol

C19H16O — CID 154487222

IUPAC3,6,8-trimethylpyren-1-ol
SMILESCc1cc(C)c2ccc3c(O)cc(C)c4ccc1c2c43
InChIInChI=1S/C19H16O/c1-10-8-11(2)14-6-7-16-17(20)9-12(3)15-5-4-13(10)18(14)19(15)16/h4-9,20H,1-3H3
InChIKeyUHTPZSPGBGOVJQ-UHFFFAOYSA-N
MW260.34 g/mol
LogP5.21
Rot. Bonds

About 3,6,8-trimethylpyren-1-ol

3,6,8-trimethylpyren-1-ol (PubChem CID 154487222) has the molecular formula C19H16O and a molecular weight of 260.34 g/mol. Its IUPAC name is 3,6,8-trimethylpyren-1-ol.

Molecular Properties

Compound Name3,6,8-trimethylpyren-1-ol
PubChem CID154487222
Molecular FormulaC19H16O
Molecular Weight260.34 g/mol
Exact Mass260.12
IUPAC Name3,6,8-trimethylpyren-1-ol
SMILESCc1cc(C)c2ccc3c(O)cc(C)c4ccc1c2c43
InChIInChI=1S/C19H16O/c1-10-8-11(2)14-6-7-16-17(20)9-12(3)15-5-4-13(10)18(14)19(15)16/h4-9,20H,1-3H3
InChIKeyUHTPZSPGBGOVJQ-UHFFFAOYSA-N
XLogP5.21
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500260.34
LogP ≤ 55.21
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

1,9-dimethylpyren-4-ol
CID 54708781
sodium 1,9-dimethyl-6H-pyren-6-id-4-ol
CID 54708780
3,4,5-trimethylnaphthalen-1-ol
CID 54424732
6-methylpyren-1-ol
CID 59779494
1,8-dimethyl-3,6-dimethylidenepyrene
CID 58370643
3,8-dimethylpyrene-1,6-diamine
CID 163838926
2,6-dimethylnaphthalene-1,4-diol
CID 121008161
7-tert-butyl-1,3-dimethylpyrene
CID 10446723
4,8-dimethylnaphthalene-1,7-diol
CID 121008162
3,4-dimethylnaphthalen-1-ol
CID 15915434
1,6-ditert-butyl-3,8-dimethylpyrene
CID 59510192
ethane;1-methoxy-4-methylnaphthalen-2-ol
CID 142864573

Frequently Asked Questions

What is the IUPAC name of 3,6,8-trimethylpyren-1-ol?
The IUPAC name of 3,6,8-trimethylpyren-1-ol (CID 154487222) is 3,6,8-trimethylpyren-1-ol.
What is the SMILES notation for 3,6,8-trimethylpyren-1-ol?
The canonical SMILES for 3,6,8-trimethylpyren-1-ol is Cc1cc(C)c2ccc3c(O)cc(C)c4ccc1c2c43.
What is the InChIKey of 3,6,8-trimethylpyren-1-ol?
The InChIKey is UHTPZSPGBGOVJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O/c1-10-8-11(2)14-6-7-16-17(20)9-12(3)15-5-4-13(10)18(14)19(15)16/h4-9,20H,1-3H3.
What are the key properties of 3,6,8-trimethylpyren-1-ol?
3,6,8-trimethylpyren-1-ol has a molecular weight of 260.34 g/mol, XLogP of 5.21, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8-trimethylpyren-1-ol is sourced from PubChem (CID 154487222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).