ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate

C20H20O4 — CID 132539637

IUPACethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
SMILESCCOC(=O)Cc1c2cc(OC)ccc2cc2ccc(OC)cc12
InChIInChI=1S/C20H20O4/c1-4-24-20(21)12-19-17-10-15(22-2)7-5-13(17)9-14-6-8-16(23-3)11-18(14)19/h5-11H,4,12H2,1-3H3
InChIKeySKBHMHGDEXHOSH-UHFFFAOYSA-N
MW324.38 g/mol
LogP4.12
Rot. Bonds5

About ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate

ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate (PubChem CID 132539637) has the molecular formula C20H20O4 and a molecular weight of 324.38 g/mol. Its IUPAC name is ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
PubChem CID132539637
Molecular FormulaC20H20O4
Molecular Weight324.38 g/mol
Exact Mass324.14
IUPAC Nameethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate
SMILESCCOC(=O)Cc1c2cc(OC)ccc2cc2ccc(OC)cc12
InChIInChI=1S/C20H20O4/c1-4-24-20(21)12-19-17-10-15(22-2)7-5-13(17)9-14-6-8-16(23-3)11-18(14)19/h5-11H,4,12H2,1-3H3
InChIKeySKBHMHGDEXHOSH-UHFFFAOYSA-N
XLogP4.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(6-methoxynaphthalen-2-yl)acetate
CID 11265053
ethyl 3-(2-ethoxy-2-oxoethyl)-5-methoxy-1H-indole-2-carboxylate
CID 10590673
9-(2-ethoxy-2-oxoethyl)anthracene-2-carboxylic acid
CID 174485595
ethyl 2-[2-(1-aminoethyl)-5-methoxy-1H-indol-3-yl]acetate
CID 70508513
ethyl 2-(7-methoxyquinolin-3-yl)acetate
CID 90417413
ethyl 2-[1-(cyclohexylmethyl)-5-methoxy-2-methylindol-3-yl]acetate
CID 10759813
ethyl 2-(4-methoxyphenyl)sulfanylacetate
CID 1482371
(1-ethyl-7-methoxynaphthalen-2-yl)methanamine
CID 115057640
ethyl 2-[2-(aminomethyl)-5-methoxyphenoxy]acetate
CID 61267782
diethyl 6-methoxyazulene-1,3-dicarboxylate
CID 101063451
ethyl 2-(7-methoxy-4-oxo-1H-quinolin-2-yl)acetate
CID 13064085
tetraethyl 6-methoxynaphthalene-1,2,3,4-tetracarboxylate
CID 11733003

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate?
The IUPAC name of ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate (CID 132539637) is ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate.
What is the SMILES notation for ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate?
The canonical SMILES for ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate is CCOC(=O)Cc1c2cc(OC)ccc2cc2ccc(OC)cc12.
What is the InChIKey of ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate?
The InChIKey is SKBHMHGDEXHOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O4/c1-4-24-20(21)12-19-17-10-15(22-2)7-5-13(17)9-14-6-8-16(23-3)11-18(14)19/h5-11H,4,12H2,1-3H3.
What are the key properties of ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate?
ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate has a molecular weight of 324.38 g/mol, XLogP of 4.12, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,7-dimethoxyanthracen-9-yl)acetate is sourced from PubChem (CID 132539637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).