4-hydroxyanthracen-1-olate

C14H9O2- — CID 143324809

IUPAC4-hydroxyanthracen-1-olate
SMILES[O-]c1ccc(O)c2cc3ccccc3cc12
InChIInChI=1S/C14H10O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8,15-16H/p-1
InChIKeyQSYYLCHYRULSFV-UHFFFAOYSA-M
MW209.22 g/mol
LogP2.77
Rot. Bonds

About 4-hydroxyanthracen-1-olate

4-hydroxyanthracen-1-olate (PubChem CID 143324809) has the molecular formula C14H9O2- and a molecular weight of 209.22 g/mol. Its IUPAC name is 4-hydroxyanthracen-1-olate.

Molecular Properties

Compound Name4-hydroxyanthracen-1-olate
PubChem CID143324809
Molecular FormulaC14H9O2-
Molecular Weight209.22 g/mol
Exact Mass209.06
IUPAC Name4-hydroxyanthracen-1-olate
SMILES[O-]c1ccc(O)c2cc3ccccc3cc12
InChIInChI=1S/C14H10O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8,15-16H/p-1
InChIKeyQSYYLCHYRULSFV-UHFFFAOYSA-M
XLogP2.77
TPSA43.29 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

heptacen-1-ol
CID 150633624
octacyclo[16.16.0.02,15.04,13.06,11.020,33.022,31.024,29]tetratriaconta-1(34),2,4(13),5,7,9,11,14,16,18,20,22,24,26,28,30,32-heptadecaen-10-ol
CID 87638914
CID 89262500
CID 89262500
sodium naphthalene-2,3-diol
CID 23069442
naphthalene-2,3-diol;titanium
CID 87616563
naphthalene-1,4-diol;naphthalene-2,6-diol
CID 67516588
6-sulfanylpentacen-1-ol
CID 140731781
9-phenanthren-9-ylphenanthren-1-ol
CID 88608615
anthracene-1,2,10-triol
CID 11342
tetrakis(naphthalen-1-ol);titanium
CID 18400436
naphthalene;naphthalen-1-ol
CID 174561564
tetracyclo[8.6.0.03,8.012,15]hexadeca-1,3,5,7,9,11,15-heptaene-11,16-diol
CID 71321539

Frequently Asked Questions

What is the IUPAC name of 4-hydroxyanthracen-1-olate?
The IUPAC name of 4-hydroxyanthracen-1-olate (CID 143324809) is 4-hydroxyanthracen-1-olate.
What is the SMILES notation for 4-hydroxyanthracen-1-olate?
The canonical SMILES for 4-hydroxyanthracen-1-olate is [O-]c1ccc(O)c2cc3ccccc3cc12.
What is the InChIKey of 4-hydroxyanthracen-1-olate?
The InChIKey is QSYYLCHYRULSFV-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H10O2/c15-13-5-6-14(16)12-8-10-4-2-1-3-9(10)7-11(12)13/h1-8,15-16H/p-1.
What are the key properties of 4-hydroxyanthracen-1-olate?
4-hydroxyanthracen-1-olate has a molecular weight of 209.22 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyanthracen-1-olate is sourced from PubChem (CID 143324809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).