3-methoxy-2-phenylmethoxy-10H-acridin-9-one

C21H17NO3 — CID 66572849

IUPAC3-methoxy-2-phenylmethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3ccccc3c(=O)c2cc1OCc1ccccc1
InChIInChI=1S/C21H17NO3/c1-24-19-12-18-16(21(23)15-9-5-6-10-17(15)22-18)11-20(19)25-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyRDZHLFGXOXXSLN-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.27
Rot. Bonds4

About 3-methoxy-2-phenylmethoxy-10H-acridin-9-one

3-methoxy-2-phenylmethoxy-10H-acridin-9-one (PubChem CID 66572849) has the molecular formula C21H17NO3 and a molecular weight of 331.37 g/mol. Its IUPAC name is 3-methoxy-2-phenylmethoxy-10H-acridin-9-one.

Molecular Properties

Compound Name3-methoxy-2-phenylmethoxy-10H-acridin-9-one
PubChem CID66572849
Molecular FormulaC21H17NO3
Molecular Weight331.37 g/mol
Exact Mass331.12
IUPAC Name3-methoxy-2-phenylmethoxy-10H-acridin-9-one
SMILESCOc1cc2[nH]c3ccccc3c(=O)c2cc1OCc1ccccc1
InChIInChI=1S/C21H17NO3/c1-24-19-12-18-16(21(23)15-9-5-6-10-17(15)22-18)11-20(19)25-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23)
InChIKeyRDZHLFGXOXXSLN-UHFFFAOYSA-N
XLogP4.27
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methoxy-2-phenylmethoxy-10H-acridin-9-one?
The IUPAC name of 3-methoxy-2-phenylmethoxy-10H-acridin-9-one (CID 66572849) is 3-methoxy-2-phenylmethoxy-10H-acridin-9-one.
What is the SMILES notation for 3-methoxy-2-phenylmethoxy-10H-acridin-9-one?
The canonical SMILES for 3-methoxy-2-phenylmethoxy-10H-acridin-9-one is COc1cc2[nH]c3ccccc3c(=O)c2cc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-2-phenylmethoxy-10H-acridin-9-one?
The InChIKey is RDZHLFGXOXXSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO3/c1-24-19-12-18-16(21(23)15-9-5-6-10-17(15)22-18)11-20(19)25-13-14-7-3-2-4-8-14/h2-12H,13H2,1H3,(H,22,23).
What are the key properties of 3-methoxy-2-phenylmethoxy-10H-acridin-9-one?
3-methoxy-2-phenylmethoxy-10H-acridin-9-one has a molecular weight of 331.37 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-phenylmethoxy-10H-acridin-9-one is sourced from PubChem (CID 66572849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).