9-(4-methoxybutoxy)-1-methylanthracene

C20H22O2 — CID 87560053

IUPAC9-(4-methoxybutoxy)-1-methylanthracene
SMILESCOCCCCOc1c2ccccc2cc2cccc(C)c12
InChIInChI=1S/C20H22O2/c1-15-8-7-10-17-14-16-9-3-4-11-18(16)20(19(15)17)22-13-6-5-12-21-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyPALWPATUNXXECA-UHFFFAOYSA-N
MW294.39 g/mol
LogP5.11
Rot. Bonds6

About 9-(4-methoxybutoxy)-1-methylanthracene

9-(4-methoxybutoxy)-1-methylanthracene (PubChem CID 87560053) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 9-(4-methoxybutoxy)-1-methylanthracene.

Molecular Properties

Compound Name9-(4-methoxybutoxy)-1-methylanthracene
PubChem CID87560053
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name9-(4-methoxybutoxy)-1-methylanthracene
SMILESCOCCCCOc1c2ccccc2cc2cccc(C)c12
InChIInChI=1S/C20H22O2/c1-15-8-7-10-17-14-16-9-3-4-11-18(16)20(19(15)17)22-13-6-5-12-21-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3
InChIKeyPALWPATUNXXECA-UHFFFAOYSA-N
XLogP5.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.39
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxybutoxy)-1-methylanthracene?
The IUPAC name of 9-(4-methoxybutoxy)-1-methylanthracene (CID 87560053) is 9-(4-methoxybutoxy)-1-methylanthracene.
What is the SMILES notation for 9-(4-methoxybutoxy)-1-methylanthracene?
The canonical SMILES for 9-(4-methoxybutoxy)-1-methylanthracene is COCCCCOc1c2ccccc2cc2cccc(C)c12.
What is the InChIKey of 9-(4-methoxybutoxy)-1-methylanthracene?
The InChIKey is PALWPATUNXXECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O2/c1-15-8-7-10-17-14-16-9-3-4-11-18(16)20(19(15)17)22-13-6-5-12-21-2/h3-4,7-11,14H,5-6,12-13H2,1-2H3.
What are the key properties of 9-(4-methoxybutoxy)-1-methylanthracene?
9-(4-methoxybutoxy)-1-methylanthracene has a molecular weight of 294.39 g/mol, XLogP of 5.11, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxybutoxy)-1-methylanthracene is sourced from PubChem (CID 87560053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).