9,10-diethoxy-2-ethylanthracene

C20H22O2 — CID 15475792

IUPAC9,10-diethoxy-2-ethylanthracene
SMILESCCOc1c2ccccc2c(OCC)c2cc(CC)ccc12
InChIInChI=1S/C20H22O2/c1-4-14-11-12-17-18(13-14)20(22-6-3)16-10-8-7-9-15(16)19(17)21-5-2/h7-13H,4-6H2,1-3H3
InChIKeyFUWFDADDJOUNDL-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.35
Rot. Bonds5

About 9,10-diethoxy-2-ethylanthracene

9,10-diethoxy-2-ethylanthracene (PubChem CID 15475792) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 9,10-diethoxy-2-ethylanthracene.

Molecular Properties

Compound Name9,10-diethoxy-2-ethylanthracene
PubChem CID15475792
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name9,10-diethoxy-2-ethylanthracene
SMILESCCOc1c2ccccc2c(OCC)c2cc(CC)ccc12
InChIInChI=1S/C20H22O2/c1-4-14-11-12-17-18(13-14)20(22-6-3)16-10-8-7-9-15(16)19(17)21-5-2/h7-13H,4-6H2,1-3H3
InChIKeyFUWFDADDJOUNDL-UHFFFAOYSA-N
XLogP5.35
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 9,10-diethoxy-2-ethylanthracene?
The IUPAC name of 9,10-diethoxy-2-ethylanthracene (CID 15475792) is 9,10-diethoxy-2-ethylanthracene.
What is the SMILES notation for 9,10-diethoxy-2-ethylanthracene?
The canonical SMILES for 9,10-diethoxy-2-ethylanthracene is CCOc1c2ccccc2c(OCC)c2cc(CC)ccc12.
What is the InChIKey of 9,10-diethoxy-2-ethylanthracene?
The InChIKey is FUWFDADDJOUNDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-4-14-11-12-17-18(13-14)20(22-6-3)16-10-8-7-9-15(16)19(17)21-5-2/h7-13H,4-6H2,1-3H3.
What are the key properties of 9,10-diethoxy-2-ethylanthracene?
9,10-diethoxy-2-ethylanthracene has a molecular weight of 294.39 g/mol, XLogP of 5.35, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-diethoxy-2-ethylanthracene is sourced from PubChem (CID 15475792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).