9,10-dimethylanthracene-2-carbaldehyde

C17H14O — CID 135149055

IUPAC9,10-dimethylanthracene-2-carbaldehyde
SMILESCc1c2ccccc2c(C)c2cc(C=O)ccc12
InChIInChI=1S/C17H14O/c1-11-14-5-3-4-6-15(14)12(2)17-9-13(10-18)7-8-16(11)17/h3-10H,1-2H3
InChIKeyLMODOYSRMGWOKS-UHFFFAOYSA-N
MW234.30 g/mol
LogP4.42
Rot. Bonds1

About 9,10-dimethylanthracene-2-carbaldehyde

9,10-dimethylanthracene-2-carbaldehyde (PubChem CID 135149055) has the molecular formula C17H14O and a molecular weight of 234.30 g/mol. Its IUPAC name is 9,10-dimethylanthracene-2-carbaldehyde.

Molecular Properties

Compound Name9,10-dimethylanthracene-2-carbaldehyde
PubChem CID135149055
Molecular FormulaC17H14O
Molecular Weight234.30 g/mol
Exact Mass234.10
IUPAC Name9,10-dimethylanthracene-2-carbaldehyde
SMILESCc1c2ccccc2c(C)c2cc(C=O)ccc12
InChIInChI=1S/C17H14O/c1-11-14-5-3-4-6-15(14)12(2)17-9-13(10-18)7-8-16(11)17/h3-10H,1-2H3
InChIKeyLMODOYSRMGWOKS-UHFFFAOYSA-N
XLogP4.42
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 9,10-dimethylanthracene-2-carbaldehyde?
The IUPAC name of 9,10-dimethylanthracene-2-carbaldehyde (CID 135149055) is 9,10-dimethylanthracene-2-carbaldehyde.
What is the SMILES notation for 9,10-dimethylanthracene-2-carbaldehyde?
The canonical SMILES for 9,10-dimethylanthracene-2-carbaldehyde is Cc1c2ccccc2c(C)c2cc(C=O)ccc12.
What is the InChIKey of 9,10-dimethylanthracene-2-carbaldehyde?
The InChIKey is LMODOYSRMGWOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O/c1-11-14-5-3-4-6-15(14)12(2)17-9-13(10-18)7-8-16(11)17/h3-10H,1-2H3.
What are the key properties of 9,10-dimethylanthracene-2-carbaldehyde?
9,10-dimethylanthracene-2-carbaldehyde has a molecular weight of 234.30 g/mol, XLogP of 4.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dimethylanthracene-2-carbaldehyde is sourced from PubChem (CID 135149055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).