1-hydroxyanthracene-2-carbaldehyde

C15H10O2 — CID 13466087

IUPAC1-hydroxyanthracene-2-carbaldehyde
SMILESO=Cc1ccc2cc3ccccc3cc2c1O
InChIInChI=1S/C15H10O2/c16-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)15(13)17/h1-9,17H
InChIKeyFHOKZPOKSFRTJX-UHFFFAOYSA-N
MW222.24 g/mol
LogP3.51
Rot. Bonds1

About 1-hydroxyanthracene-2-carbaldehyde

1-hydroxyanthracene-2-carbaldehyde (PubChem CID 13466087) has the molecular formula C15H10O2 and a molecular weight of 222.24 g/mol. Its IUPAC name is 1-hydroxyanthracene-2-carbaldehyde.

Molecular Properties

Compound Name1-hydroxyanthracene-2-carbaldehyde
PubChem CID13466087
Molecular FormulaC15H10O2
Molecular Weight222.24 g/mol
Exact Mass222.07
IUPAC Name1-hydroxyanthracene-2-carbaldehyde
SMILESO=Cc1ccc2cc3ccccc3cc2c1O
InChIInChI=1S/C15H10O2/c16-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)15(13)17/h1-9,17H
InChIKeyFHOKZPOKSFRTJX-UHFFFAOYSA-N
XLogP3.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyanthracene-2-carbaldehyde?
The IUPAC name of 1-hydroxyanthracene-2-carbaldehyde (CID 13466087) is 1-hydroxyanthracene-2-carbaldehyde.
What is the SMILES notation for 1-hydroxyanthracene-2-carbaldehyde?
The canonical SMILES for 1-hydroxyanthracene-2-carbaldehyde is O=Cc1ccc2cc3ccccc3cc2c1O.
What is the InChIKey of 1-hydroxyanthracene-2-carbaldehyde?
The InChIKey is FHOKZPOKSFRTJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10O2/c16-9-13-6-5-12-7-10-3-1-2-4-11(10)8-14(12)15(13)17/h1-9,17H.
What are the key properties of 1-hydroxyanthracene-2-carbaldehyde?
1-hydroxyanthracene-2-carbaldehyde has a molecular weight of 222.24 g/mol, XLogP of 3.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyanthracene-2-carbaldehyde is sourced from PubChem (CID 13466087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).