2-propoxyethyl anthracene-2-carboxylate

C20H20O3 — CID 86199695

IUPAC2-propoxyethyl anthracene-2-carboxylate
SMILESCCCOCCOC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H20O3/c1-2-9-22-10-11-23-20(21)18-8-7-17-12-15-5-3-4-6-16(15)13-19(17)14-18/h3-8,12-14H,2,9-11H2,1H3
InChIKeyIUBNENHSWBECFV-UHFFFAOYSA-N
MW308.38 g/mol
LogP4.58
Rot. Bonds6

About 2-propoxyethyl anthracene-2-carboxylate

2-propoxyethyl anthracene-2-carboxylate (PubChem CID 86199695) has the molecular formula C20H20O3 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-propoxyethyl anthracene-2-carboxylate.

Molecular Properties

Compound Name2-propoxyethyl anthracene-2-carboxylate
PubChem CID86199695
Molecular FormulaC20H20O3
Molecular Weight308.38 g/mol
Exact Mass308.14
IUPAC Name2-propoxyethyl anthracene-2-carboxylate
SMILESCCCOCCOC(=O)c1ccc2cc3ccccc3cc2c1
InChIInChI=1S/C20H20O3/c1-2-9-22-10-11-23-20(21)18-8-7-17-12-15-5-3-4-6-16(15)13-19(17)14-18/h3-8,12-14H,2,9-11H2,1H3
InChIKeyIUBNENHSWBECFV-UHFFFAOYSA-N
XLogP4.58
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(tridecoxymethoxy)ethyl anthracene-2-carboxylate
CID 122413814
2-[2-(2-methylbutanoyloxy)ethoxy]ethyl naphthalene-2-carboxylate
CID 23531659
2-propoxyethyl anthracene-9-carboxylate
CID 86199632
6-O-propyl 2-O-(2-sulfanylethyl) naphthalene-2,6-dicarboxylate
CID 161312884
2-propoxyethyl 3-chlorobenzoate
CID 71145499
5-aminopentyl anthracene-2-carboxylate
CID 71321351
dipropyl tetracene-2,3-dicarboxylate
CID 132917219
methane;1-O-methyl 4-O-(2-propoxyethyl) benzene-1,4-dicarboxylate
CID 157160392
2-(2-methoxyethoxy)ethyl 6-[2-[6-[2-(2-methoxyethoxy)ethoxycarbonyl]naphthalen-2-yl]oxyethoxy]naphthalene-2-carboxylate
CID 143968517
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
4-O-[2-[2-[4-[2-(2-benzoyloxyethoxy)ethoxycarbonyl]benzoyl]oxyethoxy]ethyl] 1-O-[2-(2-benzoyloxyethoxy)ethyl] benzene-1,4-dicarboxylate
CID 140775002
2-propoxyethyl 4-ethoxy-3-methylbenzoate
CID 86939194

Frequently Asked Questions

What is the IUPAC name of 2-propoxyethyl anthracene-2-carboxylate?
The IUPAC name of 2-propoxyethyl anthracene-2-carboxylate (CID 86199695) is 2-propoxyethyl anthracene-2-carboxylate.
What is the SMILES notation for 2-propoxyethyl anthracene-2-carboxylate?
The canonical SMILES for 2-propoxyethyl anthracene-2-carboxylate is CCCOCCOC(=O)c1ccc2cc3ccccc3cc2c1.
What is the InChIKey of 2-propoxyethyl anthracene-2-carboxylate?
The InChIKey is IUBNENHSWBECFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O3/c1-2-9-22-10-11-23-20(21)18-8-7-17-12-15-5-3-4-6-16(15)13-19(17)14-18/h3-8,12-14H,2,9-11H2,1H3.
What are the key properties of 2-propoxyethyl anthracene-2-carboxylate?
2-propoxyethyl anthracene-2-carboxylate has a molecular weight of 308.38 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxyethyl anthracene-2-carboxylate is sourced from PubChem (CID 86199695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).