9-(2-ethoxypropoxymethyl)anthracene

C20H22O2 — CID 89342158

IUPAC9-(2-ethoxypropoxymethyl)anthracene
SMILESCCOC(C)COCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H22O2/c1-3-22-15(2)13-21-14-20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12,15H,3,13-14H2,1-2H3
InChIKeyPZEQHSXPBQNJML-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.93
Rot. Bonds6

About 9-(2-ethoxypropoxymethyl)anthracene

9-(2-ethoxypropoxymethyl)anthracene (PubChem CID 89342158) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 9-(2-ethoxypropoxymethyl)anthracene.

Molecular Properties

Compound Name9-(2-ethoxypropoxymethyl)anthracene
PubChem CID89342158
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name9-(2-ethoxypropoxymethyl)anthracene
SMILESCCOC(C)COCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C20H22O2/c1-3-22-15(2)13-21-14-20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12,15H,3,13-14H2,1-2H3
InChIKeyPZEQHSXPBQNJML-UHFFFAOYSA-N
XLogP4.93
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.93
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-(2-ethoxypropoxymethyl)anthracene?
The IUPAC name of 9-(2-ethoxypropoxymethyl)anthracene (CID 89342158) is 9-(2-ethoxypropoxymethyl)anthracene.
What is the SMILES notation for 9-(2-ethoxypropoxymethyl)anthracene?
The canonical SMILES for 9-(2-ethoxypropoxymethyl)anthracene is CCOC(C)COCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 9-(2-ethoxypropoxymethyl)anthracene?
The InChIKey is PZEQHSXPBQNJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-3-22-15(2)13-21-14-20-18-10-6-4-8-16(18)12-17-9-5-7-11-19(17)20/h4-12,15H,3,13-14H2,1-2H3.
What are the key properties of 9-(2-ethoxypropoxymethyl)anthracene?
9-(2-ethoxypropoxymethyl)anthracene has a molecular weight of 294.39 g/mol, XLogP of 4.93, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-ethoxypropoxymethyl)anthracene is sourced from PubChem (CID 89342158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).