2,6-diethoxyanthracene

C18H18O2 — CID 12651989

IUPAC2,6-diethoxyanthracene
SMILESCCOc1ccc2cc3cc(OCC)ccc3cc2c1
InChIInChI=1S/C18H18O2/c1-3-19-17-7-5-13-10-16-12-18(20-4-2)8-6-14(16)9-15(13)11-17/h5-12H,3-4H2,1-2H3
InChIKeyRNYYXGXKYLQBCV-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.79
Rot. Bonds4

About 2,6-diethoxyanthracene

2,6-diethoxyanthracene (PubChem CID 12651989) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 2,6-diethoxyanthracene.

Molecular Properties

Compound Name2,6-diethoxyanthracene
PubChem CID12651989
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name2,6-diethoxyanthracene
SMILESCCOc1ccc2cc3cc(OCC)ccc3cc2c1
InChIInChI=1S/C18H18O2/c1-3-19-17-7-5-13-10-16-12-18(20-4-2)8-6-14(16)9-15(13)11-17/h5-12H,3-4H2,1-2H3
InChIKeyRNYYXGXKYLQBCV-UHFFFAOYSA-N
XLogP4.79
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.79
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 2,6-diethoxyanthracene?
The IUPAC name of 2,6-diethoxyanthracene (CID 12651989) is 2,6-diethoxyanthracene.
What is the SMILES notation for 2,6-diethoxyanthracene?
The canonical SMILES for 2,6-diethoxyanthracene is CCOc1ccc2cc3cc(OCC)ccc3cc2c1.
What is the InChIKey of 2,6-diethoxyanthracene?
The InChIKey is RNYYXGXKYLQBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-3-19-17-7-5-13-10-16-12-18(20-4-2)8-6-14(16)9-15(13)11-17/h5-12H,3-4H2,1-2H3.
What are the key properties of 2,6-diethoxyanthracene?
2,6-diethoxyanthracene has a molecular weight of 266.34 g/mol, XLogP of 4.79, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diethoxyanthracene is sourced from PubChem (CID 12651989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).