2,3-di(azulen-1-yl)butane-2,3-diol

C24H22O2 — CID 139247885

IUPAC2,3-di(azulen-1-yl)butane-2,3-diol
SMILESCC(O)(c1ccc2cccccc1-2)C(C)(O)c1ccc2cccccc1-2
InChIInChI=1S/C24H22O2/c1-23(25,21-15-13-17-9-5-3-7-11-19(17)21)24(2,26)22-16-14-18-10-6-4-8-12-20(18)22/h3-16,25-26H,1-2H3
InChIKeyZKLOLHBKBWENBU-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.01
Rot. Bonds3

About 2,3-di(azulen-1-yl)butane-2,3-diol

2,3-di(azulen-1-yl)butane-2,3-diol (PubChem CID 139247885) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 2,3-di(azulen-1-yl)butane-2,3-diol.

Molecular Properties

Compound Name2,3-di(azulen-1-yl)butane-2,3-diol
PubChem CID139247885
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name2,3-di(azulen-1-yl)butane-2,3-diol
SMILESCC(O)(c1ccc2cccccc1-2)C(C)(O)c1ccc2cccccc1-2
InChIInChI=1S/C24H22O2/c1-23(25,21-15-13-17-9-5-3-7-11-19(17)21)24(2,26)22-16-14-18-10-6-4-8-12-20(18)22/h3-16,25-26H,1-2H3
InChIKeyZKLOLHBKBWENBU-UHFFFAOYSA-N
XLogP5.01
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3-di(azulen-1-yl)butane-2,3-diol?
The IUPAC name of 2,3-di(azulen-1-yl)butane-2,3-diol (CID 139247885) is 2,3-di(azulen-1-yl)butane-2,3-diol.
What is the SMILES notation for 2,3-di(azulen-1-yl)butane-2,3-diol?
The canonical SMILES for 2,3-di(azulen-1-yl)butane-2,3-diol is CC(O)(c1ccc2cccccc1-2)C(C)(O)c1ccc2cccccc1-2.
What is the InChIKey of 2,3-di(azulen-1-yl)butane-2,3-diol?
The InChIKey is ZKLOLHBKBWENBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-23(25,21-15-13-17-9-5-3-7-11-19(17)21)24(2,26)22-16-14-18-10-6-4-8-12-20(18)22/h3-16,25-26H,1-2H3.
What are the key properties of 2,3-di(azulen-1-yl)butane-2,3-diol?
2,3-di(azulen-1-yl)butane-2,3-diol has a molecular weight of 342.44 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-di(azulen-1-yl)butane-2,3-diol is sourced from PubChem (CID 139247885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).