1,6-dimethylpyrene-2,7-diol

C18H14O2 — CID 11129112

IUPAC1,6-dimethylpyrene-2,7-diol
SMILESCc1c(O)cc2ccc3c(C)c(O)cc4ccc1c2c43
InChIInChI=1S/C18H14O2/c1-9-13-5-3-12-8-16(20)10(2)14-6-4-11(7-15(9)19)17(13)18(12)14/h3-8,19-20H,1-2H3
InChIKeyYVIRWYDEYOKIRX-UHFFFAOYSA-N
MW262.31 g/mol
LogP4.61
Rot. Bonds

About 1,6-dimethylpyrene-2,7-diol

1,6-dimethylpyrene-2,7-diol (PubChem CID 11129112) has the molecular formula C18H14O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 1,6-dimethylpyrene-2,7-diol.

Molecular Properties

Compound Name1,6-dimethylpyrene-2,7-diol
PubChem CID11129112
Molecular FormulaC18H14O2
Molecular Weight262.31 g/mol
Exact Mass262.10
IUPAC Name1,6-dimethylpyrene-2,7-diol
SMILESCc1c(O)cc2ccc3c(C)c(O)cc4ccc1c2c43
InChIInChI=1S/C18H14O2/c1-9-13-5-3-12-8-16(20)10(2)14-6-4-11(7-15(9)19)17(13)18(12)14/h3-8,19-20H,1-2H3
InChIKeyYVIRWYDEYOKIRX-UHFFFAOYSA-N
XLogP4.61
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethylpyrene-2,7-diol?
The IUPAC name of 1,6-dimethylpyrene-2,7-diol (CID 11129112) is 1,6-dimethylpyrene-2,7-diol.
What is the SMILES notation for 1,6-dimethylpyrene-2,7-diol?
The canonical SMILES for 1,6-dimethylpyrene-2,7-diol is Cc1c(O)cc2ccc3c(C)c(O)cc4ccc1c2c43.
What is the InChIKey of 1,6-dimethylpyrene-2,7-diol?
The InChIKey is YVIRWYDEYOKIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O2/c1-9-13-5-3-12-8-16(20)10(2)14-6-4-11(7-15(9)19)17(13)18(12)14/h3-8,19-20H,1-2H3.
What are the key properties of 1,6-dimethylpyrene-2,7-diol?
1,6-dimethylpyrene-2,7-diol has a molecular weight of 262.31 g/mol, XLogP of 4.61, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethylpyrene-2,7-diol is sourced from PubChem (CID 11129112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).