9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde

C15H12O3 — CID 89244516

IUPAC9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde
SMILESO=Cc1ccc2c(O)c3c(c(O)c2c1)CC=CC3
InChIInChI=1S/C15H12O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-2,5-8,17-18H,3-4H2
InChIKeyFIKUCYDSEPMOAG-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.72
Rot. Bonds1

About 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde

9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde (PubChem CID 89244516) has the molecular formula C15H12O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde.

Molecular Properties

Compound Name9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde
PubChem CID89244516
Molecular FormulaC15H12O3
Molecular Weight240.26 g/mol
Exact Mass240.08
IUPAC Name9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde
SMILESO=Cc1ccc2c(O)c3c(c(O)c2c1)CC=CC3
InChIInChI=1S/C15H12O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-2,5-8,17-18H,3-4H2
InChIKeyFIKUCYDSEPMOAG-UHFFFAOYSA-N
XLogP2.72
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068
5,8-dihydroanthracene-2-carbaldehyde
CID 87664562
hexahelicene-2,15-dicarbaldehyde
CID 10667716
2-chloro-3-hydroxy-1-benzothiophene-6-carbaldehyde
CID 130805636
3,4,5-trihydroxybenzaldehyde
CID 157253405
5-(6-formyl-2-hydroxynaphthalen-1-yl)-6-hydroxynaphthalene-2-carbaldehyde
CID 59034797
1-hydroxy-5,8-dihydronaphthalene-2-carbaldehyde
CID 11521165
4-formylbenzoate
CID 4289537
4-[2-(1,3-dihydroxy-4,7-dihydroisoindol-2-yl)ethoxy]-3-methoxybenzaldehyde
CID 123822399
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
9,10-dimethylanthracene-2-carbaldehyde
CID 135149055

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde?
The IUPAC name of 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde (CID 89244516) is 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde.
What is the SMILES notation for 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde?
The canonical SMILES for 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde is O=Cc1ccc2c(O)c3c(c(O)c2c1)CC=CC3.
What is the InChIKey of 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde?
The InChIKey is FIKUCYDSEPMOAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O3/c16-8-9-5-6-12-13(7-9)15(18)11-4-2-1-3-10(11)14(12)17/h1-2,5-8,17-18H,3-4H2.
What are the key properties of 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde?
9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.72, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroxy-5,8-dihydroanthracene-2-carbaldehyde is sourced from PubChem (CID 89244516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).