ethyl 2-anthracen-9-yl-2-methoxyacetate

C19H18O3 — CID 10424514

IUPACethyl 2-anthracen-9-yl-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18O3/c1-3-22-19(20)18(21-2)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12,18H,3H2,1-2H3
InChIKeyIIBYJMPDZCBQOZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.24
Rot. Bonds4

About ethyl 2-anthracen-9-yl-2-methoxyacetate

ethyl 2-anthracen-9-yl-2-methoxyacetate (PubChem CID 10424514) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl 2-anthracen-9-yl-2-methoxyacetate.

Molecular Properties

Compound Nameethyl 2-anthracen-9-yl-2-methoxyacetate
PubChem CID10424514
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Nameethyl 2-anthracen-9-yl-2-methoxyacetate
SMILESCCOC(=O)C(OC)c1c2ccccc2cc2ccccc12
InChIInChI=1S/C19H18O3/c1-3-22-19(20)18(21-2)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12,18H,3H2,1-2H3
InChIKeyIIBYJMPDZCBQOZ-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.24
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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Frequently Asked Questions

What is the IUPAC name of ethyl 2-anthracen-9-yl-2-methoxyacetate?
The IUPAC name of ethyl 2-anthracen-9-yl-2-methoxyacetate (CID 10424514) is ethyl 2-anthracen-9-yl-2-methoxyacetate.
What is the SMILES notation for ethyl 2-anthracen-9-yl-2-methoxyacetate?
The canonical SMILES for ethyl 2-anthracen-9-yl-2-methoxyacetate is CCOC(=O)C(OC)c1c2ccccc2cc2ccccc12.
What is the InChIKey of ethyl 2-anthracen-9-yl-2-methoxyacetate?
The InChIKey is IIBYJMPDZCBQOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-3-22-19(20)18(21-2)17-15-10-6-4-8-13(15)12-14-9-5-7-11-16(14)17/h4-12,18H,3H2,1-2H3.
What are the key properties of ethyl 2-anthracen-9-yl-2-methoxyacetate?
ethyl 2-anthracen-9-yl-2-methoxyacetate has a molecular weight of 294.35 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-anthracen-9-yl-2-methoxyacetate is sourced from PubChem (CID 10424514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).