1-diazenyl-2-ethylanthracene-9,10-diol

C16H14N2O2 — CID 175330263

IUPAC1-diazenyl-2-ethylanthracene-9,10-diol
SMILES[H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+
InChIKeyGPJHUTLSTXWYGN-ISLYRVAYSA-N
MW266.30 g/mol
LogP4.63
Rot. Bonds2

About 1-diazenyl-2-ethylanthracene-9,10-diol

1-diazenyl-2-ethylanthracene-9,10-diol (PubChem CID 175330263) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-diazenyl-2-ethylanthracene-9,10-diol.

Molecular Properties

Compound Name1-diazenyl-2-ethylanthracene-9,10-diol
PubChem CID175330263
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-diazenyl-2-ethylanthracene-9,10-diol
SMILES[H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12
InChIInChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+
InChIKeyGPJHUTLSTXWYGN-ISLYRVAYSA-N
XLogP4.63
TPSA76.67 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 54.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

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2-ethylnaphthalene-1,4-diol
CID 13077288
2-[4-(4-diazenylphenyl)triazol-1-yl]-1-methylanthracene-9,10-diol
CID 174760801
2-ethyl-4-propylnaphthalen-1-ol
CID 19868304
3-ethyl-9H-carbazol-4-ol
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anthra[1,2-c]diazete-5,10-diol
CID 136503832
4-[(4-chlorophenyl)methyl]-2-ethylnaphthalen-1-ol
CID 139609307
7-(2,6-diethylphenyl)-14,21-dihydroxy-7-azapentacyclo[11.8.0.03,11.05,9.015,20]henicosa-1(21),3,5(9),10,13,15,17,19-octaene-2,6,8,12-tetrone
CID 140543975
N-(2-chlorophenyl)-4-diazenyl-3-hydroxynaphthalene-2-carboxamide
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1-ethylnaphthalene;pyrene
CID 174849884

Frequently Asked Questions

What is the IUPAC name of 1-diazenyl-2-ethylanthracene-9,10-diol?
The IUPAC name of 1-diazenyl-2-ethylanthracene-9,10-diol (CID 175330263) is 1-diazenyl-2-ethylanthracene-9,10-diol.
What is the SMILES notation for 1-diazenyl-2-ethylanthracene-9,10-diol?
The canonical SMILES for 1-diazenyl-2-ethylanthracene-9,10-diol is [H]/N=N/c1c(CC)ccc2c(O)c3ccccc3c(O)c12.
What is the InChIKey of 1-diazenyl-2-ethylanthracene-9,10-diol?
The InChIKey is GPJHUTLSTXWYGN-ISLYRVAYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-2-9-7-8-12-13(14(9)18-17)16(20)11-6-4-3-5-10(11)15(12)19/h3-8,17,19-20H,2H2,1H3/b18-17+.
What are the key properties of 1-diazenyl-2-ethylanthracene-9,10-diol?
1-diazenyl-2-ethylanthracene-9,10-diol has a molecular weight of 266.30 g/mol, XLogP of 4.63, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-diazenyl-2-ethylanthracene-9,10-diol is sourced from PubChem (CID 175330263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).