2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one

C22H19NO3 — CID 25336490

IUPAC2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one
SMILESCOc1ccc(C)cc1COc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C22H19NO3/c1-14-7-10-21(25-2)15(11-14)13-26-16-8-9-20-18(12-16)22(24)17-5-3-4-6-19(17)23-20/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDVJIHMNKGSOAQY-UHFFFAOYSA-N
MW345.40 g/mol
LogP4.58
Rot. Bonds4

About 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one

2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one (PubChem CID 25336490) has the molecular formula C22H19NO3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one.

Molecular Properties

Compound Name2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one
PubChem CID25336490
Molecular FormulaC22H19NO3
Molecular Weight345.40 g/mol
Exact Mass345.14
IUPAC Name2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one
SMILESCOc1ccc(C)cc1COc1ccc2[nH]c3ccccc3c(=O)c2c1
InChIInChI=1S/C22H19NO3/c1-14-7-10-21(25-2)15(11-14)13-26-16-8-9-20-18(12-16)22(24)17-5-3-4-6-19(17)23-20/h3-12H,13H2,1-2H3,(H,23,24)
InChIKeyDVJIHMNKGSOAQY-UHFFFAOYSA-N
XLogP4.58
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 54.58
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 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one?
The IUPAC name of 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one (CID 25336490) is 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one.
What is the SMILES notation for 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one?
The canonical SMILES for 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one is COc1ccc(C)cc1COc1ccc2[nH]c3ccccc3c(=O)c2c1.
What is the InChIKey of 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one?
The InChIKey is DVJIHMNKGSOAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19NO3/c1-14-7-10-21(25-2)15(11-14)13-26-16-8-9-20-18(12-16)22(24)17-5-3-4-6-19(17)23-20/h3-12H,13H2,1-2H3,(H,23,24).
What are the key properties of 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one?
2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one has a molecular weight of 345.40 g/mol, XLogP of 4.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-5-methylphenyl)methoxy]-10H-acridin-9-one is sourced from PubChem (CID 25336490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).