9-(4-methoxyphenyl)anthracene

C21H16O — CID 14594752

IUPAC9-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-22-18-12-10-15(11-13-18)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14H,1H3
InChIKeyNINQBHWYJMTLQG-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.67
Rot. Bonds2

About 9-(4-methoxyphenyl)anthracene

9-(4-methoxyphenyl)anthracene (PubChem CID 14594752) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 9-(4-methoxyphenyl)anthracene.

Molecular Properties

Compound Name9-(4-methoxyphenyl)anthracene
PubChem CID14594752
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name9-(4-methoxyphenyl)anthracene
SMILESCOc1ccc(-c2c3ccccc3cc3ccccc23)cc1
InChIInChI=1S/C21H16O/c1-22-18-12-10-15(11-13-18)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14H,1H3
InChIKeyNINQBHWYJMTLQG-UHFFFAOYSA-N
XLogP5.67
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(4-methoxyphenyl)anthracene?
The IUPAC name of 9-(4-methoxyphenyl)anthracene (CID 14594752) is 9-(4-methoxyphenyl)anthracene.
What is the SMILES notation for 9-(4-methoxyphenyl)anthracene?
The canonical SMILES for 9-(4-methoxyphenyl)anthracene is COc1ccc(-c2c3ccccc3cc3ccccc23)cc1.
What is the InChIKey of 9-(4-methoxyphenyl)anthracene?
The InChIKey is NINQBHWYJMTLQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-22-18-12-10-15(11-13-18)21-19-8-4-2-6-16(19)14-17-7-3-5-9-20(17)21/h2-14H,1H3.
What are the key properties of 9-(4-methoxyphenyl)anthracene?
9-(4-methoxyphenyl)anthracene has a molecular weight of 284.36 g/mol, XLogP of 5.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxyphenyl)anthracene is sourced from PubChem (CID 14594752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).