[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate

C23H15FO3 — CID 7786661

IUPAC[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate
SMILESO=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1F
InChIInChI=1S/C23H15FO3/c24-20-12-6-5-11-19(20)21(25)14-27-23(26)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-13H,14H2
InChIKeyLYDBWVUOVSGSQG-UHFFFAOYSA-N
MW358.37 g/mol
LogP5.17
Rot. Bonds4

About [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate

[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate (PubChem CID 7786661) has the molecular formula C23H15FO3 and a molecular weight of 358.37 g/mol. Its IUPAC name is [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate.

Molecular Properties

Compound Name[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate
PubChem CID7786661
Molecular FormulaC23H15FO3
Molecular Weight358.37 g/mol
Exact Mass358.10
IUPAC Name[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate
SMILESO=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1F
InChIInChI=1S/C23H15FO3/c24-20-12-6-5-11-19(20)21(25)14-27-23(26)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-13H,14H2
InChIKeyLYDBWVUOVSGSQG-UHFFFAOYSA-N
XLogP5.17
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.37
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

phenacyl anthracene-9-carboxylate
CID 3297262
[2-(2-fluorophenyl)-2-oxoethyl] 2-naphthalen-1-ylacetate
CID 7782971
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
[2-(2-fluorophenyl)-2-oxoethyl] 2,4-dihydroxybenzoate
CID 7501091
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
[2-(2-fluorophenyl)-2-oxoethyl] 3,4,5-triethoxybenzoate
CID 23884909
ethyl 4-[2-(anthracene-9-carbonyloxy)acetyl]-2,5-dimethyl-1H-pyrrole-3-carboxylate
CID 2413548
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499
[2-(3-chloro-4-fluoroanilino)-2-oxoethyl] anthracene-9-carboxylate
CID 7786622
[2-(2-fluorophenyl)-2-oxoethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate
CID 7417661
[2-(1H-indol-3-yl)-2-oxoethyl] 2,6-difluorobenzoate
CID 2689663
[2-(2-fluorophenyl)-2-oxoethyl] 2-anilinobenzoate
CID 2378619

Frequently Asked Questions

What is the IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate?
The IUPAC name of [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate (CID 7786661) is [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate.
What is the SMILES notation for [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate?
The canonical SMILES for [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate is O=C(COC(=O)c1c2ccccc2cc2ccccc12)c1ccccc1F.
What is the InChIKey of [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate?
The InChIKey is LYDBWVUOVSGSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15FO3/c24-20-12-6-5-11-19(20)21(25)14-27-23(26)22-17-9-3-1-7-15(17)13-16-8-2-4-10-18(16)22/h1-13H,14H2.
What are the key properties of [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate?
[2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate has a molecular weight of 358.37 g/mol, XLogP of 5.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-fluorophenyl)-2-oxoethyl] anthracene-9-carboxylate is sourced from PubChem (CID 7786661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).