1-(phenoxymethyl)anthracene

C21H16O — CID 18517350

IUPAC1-(phenoxymethyl)anthracene
SMILESc1ccc(OCc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H16O/c1-2-11-20(12-3-1)22-15-19-10-6-9-18-13-16-7-4-5-8-17(16)14-21(18)19/h1-14H,15H2
InChIKeyRHEKZQMZMZKYQO-UHFFFAOYSA-N
MW284.36 g/mol
LogP5.57
Rot. Bonds3

About 1-(phenoxymethyl)anthracene

1-(phenoxymethyl)anthracene (PubChem CID 18517350) has the molecular formula C21H16O and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(phenoxymethyl)anthracene.

Molecular Properties

Compound Name1-(phenoxymethyl)anthracene
PubChem CID18517350
Molecular FormulaC21H16O
Molecular Weight284.36 g/mol
Exact Mass284.12
IUPAC Name1-(phenoxymethyl)anthracene
SMILESc1ccc(OCc2cccc3cc4ccccc4cc23)cc1
InChIInChI=1S/C21H16O/c1-2-11-20(12-3-1)22-15-19-10-6-9-18-13-16-7-4-5-8-17(16)14-21(18)19/h1-14H,15H2
InChIKeyRHEKZQMZMZKYQO-UHFFFAOYSA-N
XLogP5.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500284.36
LogP ≤ 55.57
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 1-(phenoxymethyl)anthracene?
The IUPAC name of 1-(phenoxymethyl)anthracene (CID 18517350) is 1-(phenoxymethyl)anthracene.
What is the SMILES notation for 1-(phenoxymethyl)anthracene?
The canonical SMILES for 1-(phenoxymethyl)anthracene is c1ccc(OCc2cccc3cc4ccccc4cc23)cc1.
What is the InChIKey of 1-(phenoxymethyl)anthracene?
The InChIKey is RHEKZQMZMZKYQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16O/c1-2-11-20(12-3-1)22-15-19-10-6-9-18-13-16-7-4-5-8-17(16)14-21(18)19/h1-14H,15H2.
What are the key properties of 1-(phenoxymethyl)anthracene?
1-(phenoxymethyl)anthracene has a molecular weight of 284.36 g/mol, XLogP of 5.57, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(phenoxymethyl)anthracene is sourced from PubChem (CID 18517350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).