1,2-di(azulen-6-yl)ethane-1,2-diol

C22H18O2 — CID 15496574

IUPAC1,2-di(azulen-6-yl)ethane-1,2-diol
SMILESOC(c1ccc2cccc-2cc1)C(O)c1ccc2cccc-2cc1
InChIInChI=1S/C22H18O2/c23-21(19-11-7-15-3-1-4-16(15)8-12-19)22(24)20-13-9-17-5-2-6-18(17)10-14-20/h1-14,21-24H
InChIKeyLHPMVBQORCAMGY-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.66
Rot. Bonds3

About 1,2-di(azulen-6-yl)ethane-1,2-diol

1,2-di(azulen-6-yl)ethane-1,2-diol (PubChem CID 15496574) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 1,2-di(azulen-6-yl)ethane-1,2-diol.

Molecular Properties

Compound Name1,2-di(azulen-6-yl)ethane-1,2-diol
PubChem CID15496574
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name1,2-di(azulen-6-yl)ethane-1,2-diol
SMILESOC(c1ccc2cccc-2cc1)C(O)c1ccc2cccc-2cc1
InChIInChI=1S/C22H18O2/c23-21(19-11-7-15-3-1-4-16(15)8-12-19)22(24)20-13-9-17-5-2-6-18(17)10-14-20/h1-14,21-24H
InChIKeyLHPMVBQORCAMGY-UHFFFAOYSA-N
XLogP4.66
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-di(azulen-6-yl)ethane-1,2-diol?
The IUPAC name of 1,2-di(azulen-6-yl)ethane-1,2-diol (CID 15496574) is 1,2-di(azulen-6-yl)ethane-1,2-diol.
What is the SMILES notation for 1,2-di(azulen-6-yl)ethane-1,2-diol?
The canonical SMILES for 1,2-di(azulen-6-yl)ethane-1,2-diol is OC(c1ccc2cccc-2cc1)C(O)c1ccc2cccc-2cc1.
What is the InChIKey of 1,2-di(azulen-6-yl)ethane-1,2-diol?
The InChIKey is LHPMVBQORCAMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c23-21(19-11-7-15-3-1-4-16(15)8-12-19)22(24)20-13-9-17-5-2-6-18(17)10-14-20/h1-14,21-24H.
What are the key properties of 1,2-di(azulen-6-yl)ethane-1,2-diol?
1,2-di(azulen-6-yl)ethane-1,2-diol has a molecular weight of 314.38 g/mol, XLogP of 4.66, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(azulen-6-yl)ethane-1,2-diol is sourced from PubChem (CID 15496574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).