1,4-diimino-2,3-dihydroanthracene-9,10-diol

C14H12N2O2 — CID 6687

IUPAC1,4-diimino-2,3-dihydroanthracene-9,10-diol
SMILES[H]/N=C1\CC/C(=N\[H])c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-18H,5-6H2/b15-9+,16-10+
InChIKeyUFVDYITXJBCPMW-KAVGSWPWSA-N
MW240.26 g/mol
LogP2.78
Rot. Bonds

About 1,4-diimino-2,3-dihydroanthracene-9,10-diol

1,4-diimino-2,3-dihydroanthracene-9,10-diol (PubChem CID 6687) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 1,4-diimino-2,3-dihydroanthracene-9,10-diol.

Molecular Properties

Compound Name1,4-diimino-2,3-dihydroanthracene-9,10-diol
PubChem CID6687
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name1,4-diimino-2,3-dihydroanthracene-9,10-diol
SMILES[H]/N=C1\CC/C(=N\[H])c2c1c(O)c1ccccc1c2O
InChIInChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-18H,5-6H2/b15-9+,16-10+
InChIKeyUFVDYITXJBCPMW-KAVGSWPWSA-N
XLogP2.78
TPSA88.16 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

Menadiol
CID 10209
1,4-Dihydroxy-2,3-naphthalenedicarbonitrile
CID 278573
9,10-Anthracenediol, 1,4-dihydro-
CID 92020
Menaquinol
CID 5280839
9,10-Anthracenediol
CID 21082
2,2-Dimethyl-2,3-dihydro-1H-anthra[1,2-d]imidazole-6,11-dione
CID 135433817
Anthra[1,9-de:4,10-d'e']bis[1,2,3]oxathiazine, 2,2,7,7-tetraoxide
CID 616527
9-Imino-9,10-dihydro-anthracene-1,8-diol
CID 135407253
a Menaquinol
CID 46873831
1-(1-Hydroxy-2-naphthyl)ethanone oxime
CID 135533483
2-Methyl-2-phenyl-2,3-dihydro-1H-anthra[1,2-d]imidazole-6,11-dione
CID 135908529
11-Imino-2-methylbenzo[b]fluorene-4,5,9,10-tetrol
CID 135463711

Frequently Asked Questions

What is the IUPAC name of 1,4-diimino-2,3-dihydroanthracene-9,10-diol?
The IUPAC name of 1,4-diimino-2,3-dihydroanthracene-9,10-diol (CID 6687) is 1,4-diimino-2,3-dihydroanthracene-9,10-diol.
What is the SMILES notation for 1,4-diimino-2,3-dihydroanthracene-9,10-diol?
The canonical SMILES for 1,4-diimino-2,3-dihydroanthracene-9,10-diol is [H]/N=C1\CC/C(=N\[H])c2c1c(O)c1ccccc1c2O.
What is the InChIKey of 1,4-diimino-2,3-dihydroanthracene-9,10-diol?
The InChIKey is UFVDYITXJBCPMW-KAVGSWPWSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-9-5-6-10(16)12-11(9)13(17)7-3-1-2-4-8(7)14(12)18/h1-4,15-18H,5-6H2/b15-9+,16-10+.
What are the key properties of 1,4-diimino-2,3-dihydroanthracene-9,10-diol?
1,4-diimino-2,3-dihydroanthracene-9,10-diol has a molecular weight of 240.26 g/mol, XLogP of 2.78, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diimino-2,3-dihydroanthracene-9,10-diol is sourced from PubChem (CID 6687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).