(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate

C20H16O4 — CID 177106308

IUPAC(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)Oc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H16O4/c1-13(2)20(22)23-12-18(21)24-19-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)19/h3-11H,1,12H2,2H3
InChIKeyFHWYSRPMHRILCD-UHFFFAOYSA-N
MW320.34 g/mol
LogP4.02
Rot. Bonds4

About (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate

(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate (PubChem CID 177106308) has the molecular formula C20H16O4 and a molecular weight of 320.34 g/mol. Its IUPAC name is (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
PubChem CID177106308
Molecular FormulaC20H16O4
Molecular Weight320.34 g/mol
Exact Mass320.10
IUPAC Name(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)Oc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H16O4/c1-13(2)20(22)23-12-18(21)24-19-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)19/h3-11H,1,12H2,2H3
InChIKeyFHWYSRPMHRILCD-UHFFFAOYSA-N
XLogP4.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

(2-anthracen-9-yl-2-oxoethyl) 2-methylprop-2-enoate
CID 158316032
anthracene;ethyl 2-methylprop-2-enoate
CID 126715245
tetracen-5-ylmethyl 2-methylprop-2-enoate
CID 59584223
[2-(2-fluoro-6-formylphenoxy)-2-oxoethyl] 2-methylprop-2-enoate
CID 141075955
[2-(6-hydroxynaphthalen-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate;yttrium
CID 59524626
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
anthracen-9-yl 2-methylbut-2-enoate
CID 173150522
[1-[2-(2-methylprop-2-enoyloxy)naphthalen-1-yl]naphthalen-2-yl] 2-methylprop-2-enoate
CID 58341857
(2-acetyloxynaphthalen-1-yl) 2-methylprop-2-enoate
CID 150370008
3-anthracen-1-ylpropyl 2-methylprop-2-enoate
CID 164705675
3-phenanthren-2-ylprop-2-ynyl 2-methylprop-2-enoate
CID 123764756
naphthalen-1-yl 2-methylprop-2-enoate;prop-2-enoic acid
CID 174897814

Frequently Asked Questions

What is the IUPAC name of (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate?
The IUPAC name of (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate (CID 177106308) is (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)Oc1c2ccccc2cc2ccccc12.
What is the InChIKey of (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate?
The InChIKey is FHWYSRPMHRILCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O4/c1-13(2)20(22)23-12-18(21)24-19-16-9-5-3-7-14(16)11-15-8-4-6-10-17(15)19/h3-11H,1,12H2,2H3.
What are the key properties of (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate?
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate has a molecular weight of 320.34 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate is sourced from PubChem (CID 177106308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).