azulene-1,5-diol

C10H8O2 — CID 71327638

IUPACazulene-1,5-diol
SMILESOc1cccc2c(O)ccc-2c1
InChIInChI=1S/C10H8O2/c11-8-2-1-3-9-7(6-8)4-5-10(9)12/h1-6,11-12H
InChIKeyVSZNRCIDOBSUIV-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.20
Rot. Bonds

About azulene-1,5-diol

azulene-1,5-diol (PubChem CID 71327638) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is azulene-1,5-diol.

Molecular Properties

Compound Nameazulene-1,5-diol
PubChem CID71327638
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Nameazulene-1,5-diol
SMILESOc1cccc2c(O)ccc-2c1
InChIInChI=1S/C10H8O2/c11-8-2-1-3-9-7(6-8)4-5-10(9)12/h1-6,11-12H
InChIKeyVSZNRCIDOBSUIV-UHFFFAOYSA-N
XLogP2.20
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze azulene-1,5-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azulene-1,5-diol?
The IUPAC name of azulene-1,5-diol (CID 71327638) is azulene-1,5-diol.
What is the SMILES notation for azulene-1,5-diol?
The canonical SMILES for azulene-1,5-diol is Oc1cccc2c(O)ccc-2c1.
What is the InChIKey of azulene-1,5-diol?
The InChIKey is VSZNRCIDOBSUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-8-2-1-3-9-7(6-8)4-5-10(9)12/h1-6,11-12H.
What are the key properties of azulene-1,5-diol?
azulene-1,5-diol has a molecular weight of 160.17 g/mol, XLogP of 2.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azulene-1,5-diol is sourced from PubChem (CID 71327638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).