5,8-dihydroanthracene-2-carbaldehyde

C15H12O — CID 87664562

IUPAC5,8-dihydroanthracene-2-carbaldehyde
SMILESO=Cc1ccc2cc3c(cc2c1)CC=CC3
InChIInChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-2,5-10H,3-4H2
InChIKeyIIIKSNIDTSJHKO-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.31
Rot. Bonds1

About 5,8-dihydroanthracene-2-carbaldehyde

5,8-dihydroanthracene-2-carbaldehyde (PubChem CID 87664562) has the molecular formula C15H12O and a molecular weight of 208.26 g/mol. Its IUPAC name is 5,8-dihydroanthracene-2-carbaldehyde.

Molecular Properties

Compound Name5,8-dihydroanthracene-2-carbaldehyde
PubChem CID87664562
Molecular FormulaC15H12O
Molecular Weight208.26 g/mol
Exact Mass208.09
IUPAC Name5,8-dihydroanthracene-2-carbaldehyde
SMILESO=Cc1ccc2cc3c(cc2c1)CC=CC3
InChIInChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-2,5-10H,3-4H2
InChIKeyIIIKSNIDTSJHKO-UHFFFAOYSA-N
XLogP3.31
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,8-dihydroanthracene-2-carbaldehyde?
The IUPAC name of 5,8-dihydroanthracene-2-carbaldehyde (CID 87664562) is 5,8-dihydroanthracene-2-carbaldehyde.
What is the SMILES notation for 5,8-dihydroanthracene-2-carbaldehyde?
The canonical SMILES for 5,8-dihydroanthracene-2-carbaldehyde is O=Cc1ccc2cc3c(cc2c1)CC=CC3.
What is the InChIKey of 5,8-dihydroanthracene-2-carbaldehyde?
The InChIKey is IIIKSNIDTSJHKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-2,5-10H,3-4H2.
What are the key properties of 5,8-dihydroanthracene-2-carbaldehyde?
5,8-dihydroanthracene-2-carbaldehyde has a molecular weight of 208.26 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dihydroanthracene-2-carbaldehyde is sourced from PubChem (CID 87664562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).