ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate

C20H22O3 — CID 165437215

IUPACethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
SMILESCCOC(=O)COCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H22O3/c1-2-23-20(21)14-22-12-11-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3
InChIKeyLWQZXEFWRDHZSU-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.69
Rot. Bonds6

About ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate

ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate (PubChem CID 165437215) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
PubChem CID165437215
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Nameethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate
SMILESCCOC(=O)COCCC1c2ccccc2Cc2ccccc21
InChIInChI=1S/C20H22O3/c1-2-23-20(21)14-22-12-11-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3
InChIKeyLWQZXEFWRDHZSU-UHFFFAOYSA-N
XLogP3.69
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate (CID 165437215) is ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate is CCOC(=O)COCCC1c2ccccc2Cc2ccccc21.
What is the InChIKey of ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate?
The InChIKey is LWQZXEFWRDHZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/c1-2-23-20(21)14-22-12-11-19-17-9-5-3-7-15(17)13-16-8-4-6-10-18(16)19/h3-10,19H,2,11-14H2,1H3.
What are the key properties of ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate?
ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate has a molecular weight of 310.39 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(9,10-dihydroanthracen-9-yl)ethoxy]acetate is sourced from PubChem (CID 165437215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).