9-imino-10H-anthracene-1,8-diol

C14H11NO2 — CID 135407253

IUPAC9-imino-10H-anthracene-1,8-diol
SMILES[H]N=C1c2c(O)cccc2Cc2cccc(O)c21
InChIInChI=1S/C14H11NO2/c15-14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)14/h1-6,15-17H,7H2
InChIKeyPSXQHDJVYHURTR-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.42
Rot. Bonds

About 9-imino-10H-anthracene-1,8-diol

9-imino-10H-anthracene-1,8-diol (PubChem CID 135407253) has the molecular formula C14H11NO2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 9-imino-10H-anthracene-1,8-diol.

Molecular Properties

Compound Name9-imino-10H-anthracene-1,8-diol
PubChem CID135407253
Molecular FormulaC14H11NO2
Molecular Weight225.25 g/mol
Exact Mass225.08
IUPAC Name9-imino-10H-anthracene-1,8-diol
SMILES[H]N=C1c2c(O)cccc2Cc2cccc(O)c21
InChIInChI=1S/C14H11NO2/c15-14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)14/h1-6,15-17H,7H2
InChIKeyPSXQHDJVYHURTR-UHFFFAOYSA-N
XLogP2.42
TPSA64.31 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,4-Diamino-2,3-dihydroanthraquinone
CID 6687
2-(Iminophenylmethyl)phenol
CID 135790003
9,10-Dihydroanthracene-1,8-diol
CID 186774
Anthracene-1,8-diol
CID 19786014
1-(1-Hydroxy-2-naphthyl)ethanone oxime
CID 135533483
2-[N-hydroxy-C-(2-hydroxyphenyl)carbonimidoyl]phenol
CID 135758986
2-[(Z)-N-hydroxy-C-(2-hydroxyphenyl)carbonimidoyl]-4-phenylphenol
CID 136986970
Ethanone, 1-(1-hydroxy-2-naphthalenyl)-, oxime
CID 103552
3-[Imino(phenyl)methyl]phenol
CID 71379432
Benzene, 1,5-dihydroxy-2-iminobenzyl-3-methyl-
CID 165339894
4,5-Dihydroxy-10-imino-9(10H)-anthracenone
CID 617386
2-Naphthalenol, 1-(iminomethyl)-
CID 5214161

Frequently Asked Questions

What is the IUPAC name of 9-imino-10H-anthracene-1,8-diol?
The IUPAC name of 9-imino-10H-anthracene-1,8-diol (CID 135407253) is 9-imino-10H-anthracene-1,8-diol.
What is the SMILES notation for 9-imino-10H-anthracene-1,8-diol?
The canonical SMILES for 9-imino-10H-anthracene-1,8-diol is [H]N=C1c2c(O)cccc2Cc2cccc(O)c21.
What is the InChIKey of 9-imino-10H-anthracene-1,8-diol?
The InChIKey is PSXQHDJVYHURTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO2/c15-14-12-8(3-1-5-10(12)16)7-9-4-2-6-11(17)13(9)14/h1-6,15-17H,7H2.
What are the key properties of 9-imino-10H-anthracene-1,8-diol?
9-imino-10H-anthracene-1,8-diol has a molecular weight of 225.25 g/mol, XLogP of 2.42, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imino-10H-anthracene-1,8-diol is sourced from PubChem (CID 135407253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).