[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate

C24H18O3 — CID 2568505

IUPAC[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate
SMILESC[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c1-16(23(25)17-9-3-2-4-10-17)27-24(26)22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3/t16-/m1/s1
InChIKeyUAIKTIQSPJAAPQ-MRXNPFEDSA-N
MW354.41 g/mol
LogP5.42
Rot. Bonds4

About [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate

[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate (PubChem CID 2568505) has the molecular formula C24H18O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate.

Molecular Properties

Compound Name[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate
PubChem CID2568505
Molecular FormulaC24H18O3
Molecular Weight354.41 g/mol
Exact Mass354.13
IUPAC Name[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate
SMILESC[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)c1ccccc1
InChIInChI=1S/C24H18O3/c1-16(23(25)17-9-3-2-4-10-17)27-24(26)22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3/t16-/m1/s1
InChIKeyUAIKTIQSPJAAPQ-MRXNPFEDSA-N
XLogP5.42
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.41
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786517
[(2R)-1-(4-ethylphenyl)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786565
[(2S)-1-amino-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786575
propan-2-yl anthracene-9-carboxylate
CID 12646743
[(2S)-1-(benzylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786528
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786573
[(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786471
[(2R)-1-(4-methylanilino)-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786496
[1-(4-methoxyphenyl)-1-oxopropan-2-yl] benzoate
CID 13123780
[(2R)-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-1-oxopropan-2-yl] anthracene-9-carboxylate
CID 7786546
[(2R)-1-oxo-1-phenylpropan-2-yl] 2-(4-methylphenyl)quinoline-4-carboxylate
CID 1217833
[(2S)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2,4-dimethylquinoline-3-carboxylate
CID 8825277

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate?
The IUPAC name of [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate (CID 2568505) is [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate.
What is the SMILES notation for [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate?
The canonical SMILES for [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate is C[C@@H](OC(=O)c1c2ccccc2cc2ccccc12)C(=O)c1ccccc1.
What is the InChIKey of [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate?
The InChIKey is UAIKTIQSPJAAPQ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H18O3/c1-16(23(25)17-9-3-2-4-10-17)27-24(26)22-20-13-7-5-11-18(20)15-19-12-6-8-14-21(19)22/h2-16H,1H3/t16-/m1/s1.
What are the key properties of [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate?
[(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate has a molecular weight of 354.41 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-oxo-1-phenylpropan-2-yl] anthracene-9-carboxylate is sourced from PubChem (CID 2568505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).