9,10-dihydroanthracene-9-carbonyl chloride

C15H11ClO — CID 14248600

IUPAC9,10-dihydroanthracene-9-carbonyl chloride
SMILESO=C(Cl)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H11ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyOCKABWVMRIIHHE-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.49
Rot. Bonds1

About 9,10-dihydroanthracene-9-carbonyl chloride

9,10-dihydroanthracene-9-carbonyl chloride (PubChem CID 14248600) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 9,10-dihydroanthracene-9-carbonyl chloride.

Molecular Properties

Compound Name9,10-dihydroanthracene-9-carbonyl chloride
PubChem CID14248600
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name9,10-dihydroanthracene-9-carbonyl chloride
SMILESO=C(Cl)C1c2ccccc2Cc2ccccc21
InChIInChI=1S/C15H11ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2
InChIKeyOCKABWVMRIIHHE-UHFFFAOYSA-N
XLogP3.49
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracene-9-carbonyl chloride?
The IUPAC name of 9,10-dihydroanthracene-9-carbonyl chloride (CID 14248600) is 9,10-dihydroanthracene-9-carbonyl chloride.
What is the SMILES notation for 9,10-dihydroanthracene-9-carbonyl chloride?
The canonical SMILES for 9,10-dihydroanthracene-9-carbonyl chloride is O=C(Cl)C1c2ccccc2Cc2ccccc21.
What is the InChIKey of 9,10-dihydroanthracene-9-carbonyl chloride?
The InChIKey is OCKABWVMRIIHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-8,14H,9H2.
What are the key properties of 9,10-dihydroanthracene-9-carbonyl chloride?
9,10-dihydroanthracene-9-carbonyl chloride has a molecular weight of 242.71 g/mol, XLogP of 3.49, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroanthracene-9-carbonyl chloride is sourced from PubChem (CID 14248600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).