azulene-1,2-diol

C10H8O2 — CID 12588025

IUPACazulene-1,2-diol
SMILESOc1cc2cccccc-2c1O
InChIInChI=1S/C10H8O2/c11-9-6-7-4-2-1-3-5-8(7)10(9)12/h1-6,11-12H
InChIKeyAZUKLMQNFXRFGL-UHFFFAOYSA-N
MW160.17 g/mol
LogP2.20
Rot. Bonds

About azulene-1,2-diol

azulene-1,2-diol (PubChem CID 12588025) has the molecular formula C10H8O2 and a molecular weight of 160.17 g/mol. Its IUPAC name is azulene-1,2-diol.

Molecular Properties

Compound Nameazulene-1,2-diol
PubChem CID12588025
Molecular FormulaC10H8O2
Molecular Weight160.17 g/mol
Exact Mass160.05
IUPAC Nameazulene-1,2-diol
SMILESOc1cc2cccccc-2c1O
InChIInChI=1S/C10H8O2/c11-9-6-7-4-2-1-3-5-8(7)10(9)12/h1-6,11-12H
InChIKeyAZUKLMQNFXRFGL-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

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Frequently Asked Questions

What is the IUPAC name of azulene-1,2-diol?
The IUPAC name of azulene-1,2-diol (CID 12588025) is azulene-1,2-diol.
What is the SMILES notation for azulene-1,2-diol?
The canonical SMILES for azulene-1,2-diol is Oc1cc2cccccc-2c1O.
What is the InChIKey of azulene-1,2-diol?
The InChIKey is AZUKLMQNFXRFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O2/c11-9-6-7-4-2-1-3-5-8(7)10(9)12/h1-6,11-12H.
What are the key properties of azulene-1,2-diol?
azulene-1,2-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-1,2-diol is sourced from PubChem (CID 12588025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).