2,5-dideuterio-1-hydroxy-10H-anthracen-9-one

C14H10O2 — CID 175725156

IUPAC2,5-dideuterio-1-hydroxy-10H-anthracen-9-one
SMILES[2H]c1ccc2c(c1O)C(=O)c1cccc([2H])c1C2
InChIInChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2/i4D,7D
InChIKeyAXHRXVXCOMMNLG-LZWIMIHNSA-N
MW212.24 g/mol
LogP2.53
Rot. Bonds

About 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one

2,5-dideuterio-1-hydroxy-10H-anthracen-9-one (PubChem CID 175725156) has the molecular formula C14H10O2 and a molecular weight of 212.24 g/mol. Its IUPAC name is 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one.

Molecular Properties

Compound Name2,5-dideuterio-1-hydroxy-10H-anthracen-9-one
PubChem CID175725156
Molecular FormulaC14H10O2
Molecular Weight212.24 g/mol
Exact Mass212.08
IUPAC Name2,5-dideuterio-1-hydroxy-10H-anthracen-9-one
SMILES[2H]c1ccc2c(c1O)C(=O)c1cccc([2H])c1C2
InChIInChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2/i4D,7D
InChIKeyAXHRXVXCOMMNLG-LZWIMIHNSA-N
XLogP2.53
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 10208
Emodin
CID 3220
Alizarin
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Rhein
CID 10168
1,8-Dihydroxyanthraquinone
CID 2950
Plumbagin
CID 10205
Juglone
CID 3806
Anthralin
CID 2202
2'-Hydroxyacetophenone
CID 8375
Quinizarin
CID 6688
Aloe emodin
CID 10207
Naphthazarin
CID 10141

Frequently Asked Questions

What is the IUPAC name of 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one?
The IUPAC name of 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one (CID 175725156) is 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one.
What is the SMILES notation for 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one?
The canonical SMILES for 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one is [2H]c1ccc2c(c1O)C(=O)c1cccc([2H])c1C2.
What is the InChIKey of 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one?
The InChIKey is AXHRXVXCOMMNLG-LZWIMIHNSA-N. The full InChI is InChI=1S/C14H10O2/c15-12-7-3-5-10-8-9-4-1-2-6-11(9)14(16)13(10)12/h1-7,15H,8H2/i4D,7D.
What are the key properties of 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one?
2,5-dideuterio-1-hydroxy-10H-anthracen-9-one has a molecular weight of 212.24 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dideuterio-1-hydroxy-10H-anthracen-9-one is sourced from PubChem (CID 175725156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).