(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate

C19H14O3 — CID 154175956

IUPAC(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
SMILESCC(=O)OCC(=C=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H14O3/c1-13(21)22-12-16(11-20)19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10H,12H2,1H3
InChIKeyUCGBRFQWUWVKPX-UHFFFAOYSA-N
MW290.32 g/mol
LogP3.77
Rot. Bonds3

About (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate

(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate (PubChem CID 154175956) has the molecular formula C19H14O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate.

Molecular Properties

Compound Name(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
PubChem CID154175956
Molecular FormulaC19H14O3
Molecular Weight290.32 g/mol
Exact Mass290.09
IUPAC Name(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate
SMILESCC(=O)OCC(=C=O)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H14O3/c1-13(21)22-12-16(11-20)19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10H,12H2,1H3
InChIKeyUCGBRFQWUWVKPX-UHFFFAOYSA-N
XLogP3.77
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

anthracen-9-ylmethyl acetate
CID 27876
(2-anthracen-9-yl-2-oxoethyl) 2-methylprop-2-enoate
CID 158316032
ethyl acetate;phenanthrene
CID 160726264
[2-[di(propan-2-yl)amino]-2-oxoethyl] anthracene-9-carboxylate
CID 2511499
anthracen-9-ylmethyl anthracene-9-carboxylate
CID 59653644
(4-hydroxynaphthalen-2-yl)methyl acetate
CID 150198029
phenacyl anthracene-9-carboxylate
CID 3297262
3-(anthracene-9-carbonyl)pentane-2,4-dione
CID 102379798
2-(dimethylamino)ethyl anthracene-9-carboxylate
CID 71404240
[2-(4-methoxyphenyl)-2-oxoethyl] anthracene-9-carboxylate
CID 7786608
2-propoxyethyl anthracene-9-carboxylate
CID 86199632
[1-anthracen-9-yl-2,2-bis(2,4,6-trimethylphenyl)ethenyl] acetate
CID 10255362

Frequently Asked Questions

What is the IUPAC name of (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate?
The IUPAC name of (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate (CID 154175956) is (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate.
What is the SMILES notation for (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate?
The canonical SMILES for (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate is CC(=O)OCC(=C=O)c1c2ccccc2cc2ccccc12.
What is the InChIKey of (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate?
The InChIKey is UCGBRFQWUWVKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O3/c1-13(21)22-12-16(11-20)19-17-8-4-2-6-14(17)10-15-7-3-5-9-18(15)19/h2-10H,12H2,1H3.
What are the key properties of (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate?
(2-anthracen-9-yl-3-oxoprop-2-enyl) acetate has a molecular weight of 290.32 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anthracen-9-yl-3-oxoprop-2-enyl) acetate is sourced from PubChem (CID 154175956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).