10-(3,4-dihydroxyphenyl)iminoanthracen-9-one

C20H13NO3 — CID 135457303

IUPAC10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccc(O)c(O)c2)c2ccccc21
InChIInChI=1S/C20H13NO3/c22-17-10-9-12(11-18(17)23)21-19-13-5-1-3-7-15(13)20(24)16-8-4-2-6-14(16)19/h1-11,22-23H
InChIKeyDPIUMEFHAQQYLR-UHFFFAOYSA-N
MW315.33 g/mol
LogP3.81
Rot. Bonds1

About 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one

10-(3,4-dihydroxyphenyl)iminoanthracen-9-one (PubChem CID 135457303) has the molecular formula C20H13NO3 and a molecular weight of 315.33 g/mol. Its IUPAC name is 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one.

Molecular Properties

Compound Name10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
PubChem CID135457303
Molecular FormulaC20H13NO3
Molecular Weight315.33 g/mol
Exact Mass315.09
IUPAC Name10-(3,4-dihydroxyphenyl)iminoanthracen-9-one
SMILESO=C1c2ccccc2C(=Nc2ccc(O)c(O)c2)c2ccccc21
InChIInChI=1S/C20H13NO3/c22-17-10-9-12(11-18(17)23)21-19-13-5-1-3-7-15(13)20(24)16-8-4-2-6-14(16)19/h1-11,22-23H
InChIKeyDPIUMEFHAQQYLR-UHFFFAOYSA-N
XLogP3.81
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.33
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxyanthracene-9,10-dione
CID 11031986
4-hydroxy-10-phenyliminoanthracen-9-one
CID 136857426
10-(2-hydroxy-4-methoxyphenyl)iminoanthracen-9-one
CID 10471763
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708
anthracene-9,10-diol;anthracene-9,10-dione
CID 88635748
10-(2,4-dichlorophenyl)imino-4-hydroxyanthracen-9-one
CID 137274049
1,2,3-trihydroxyanthracene-9,10-dione
CID 11768
1,2-dihydroxyanthracene-9,10-dione;tetrahydrochloride
CID 159491236
anthracene-9,10-dione;benzene-1,4-diol
CID 70474233
2-[(4-hydroxynaphthalen-1-yl)diazenyl]anthracene-9,10-dione
CID 136661095
CID 66807709
CID 66807709
CID 67824005
CID 67824005

Frequently Asked Questions

What is the IUPAC name of 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one?
The IUPAC name of 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one (CID 135457303) is 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one.
What is the SMILES notation for 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one?
The canonical SMILES for 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one is O=C1c2ccccc2C(=Nc2ccc(O)c(O)c2)c2ccccc21.
What is the InChIKey of 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one?
The InChIKey is DPIUMEFHAQQYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13NO3/c22-17-10-9-12(11-18(17)23)21-19-13-5-1-3-7-15(13)20(24)16-8-4-2-6-14(16)19/h1-11,22-23H.
What are the key properties of 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one?
10-(3,4-dihydroxyphenyl)iminoanthracen-9-one has a molecular weight of 315.33 g/mol, XLogP of 3.81, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(3,4-dihydroxyphenyl)iminoanthracen-9-one is sourced from PubChem (CID 135457303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).