phenanthrene-2,4,5,6-tetrol

C14H10O4 — CID 129206075

IUPACphenanthrene-2,4,5,6-tetrol
SMILESOc1cc(O)c2c(ccc3ccc(O)c(O)c32)c1
InChIInChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
InChIKeyJSLUYTKYLIDAEB-UHFFFAOYSA-N
MW242.23 g/mol
LogP2.82
Rot. Bonds

About phenanthrene-2,4,5,6-tetrol

phenanthrene-2,4,5,6-tetrol (PubChem CID 129206075) has the molecular formula C14H10O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is phenanthrene-2,4,5,6-tetrol.

Molecular Properties

Compound Namephenanthrene-2,4,5,6-tetrol
PubChem CID129206075
Molecular FormulaC14H10O4
Molecular Weight242.23 g/mol
Exact Mass242.06
IUPAC Namephenanthrene-2,4,5,6-tetrol
SMILESOc1cc(O)c2c(ccc3ccc(O)c(O)c32)c1
InChIInChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H
InChIKeyJSLUYTKYLIDAEB-UHFFFAOYSA-N
XLogP2.82
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of phenanthrene-2,4,5,6-tetrol?
The IUPAC name of phenanthrene-2,4,5,6-tetrol (CID 129206075) is phenanthrene-2,4,5,6-tetrol.
What is the SMILES notation for phenanthrene-2,4,5,6-tetrol?
The canonical SMILES for phenanthrene-2,4,5,6-tetrol is Oc1cc(O)c2c(ccc3ccc(O)c(O)c32)c1.
What is the InChIKey of phenanthrene-2,4,5,6-tetrol?
The InChIKey is JSLUYTKYLIDAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O4/c15-9-5-8-2-1-7-3-4-10(16)14(18)13(7)12(8)11(17)6-9/h1-6,15-18H.
What are the key properties of phenanthrene-2,4,5,6-tetrol?
phenanthrene-2,4,5,6-tetrol has a molecular weight of 242.23 g/mol, XLogP of 2.82, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenanthrene-2,4,5,6-tetrol is sourced from PubChem (CID 129206075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).