1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one

C21H17NO2 — CID 11056156

IUPAC1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H17NO2/c1-15-7-6-12-21(23)22(15)24-14-20-18-10-4-2-8-16(18)13-17-9-3-5-11-19(17)20/h2-13H,14H2,1H3
InChIKeyWKEMAWPAGMPCQJ-UHFFFAOYSA-N
MW315.37 g/mol
LogP4.09
Rot. Bonds3

About 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one

1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one (PubChem CID 11056156) has the molecular formula C21H17NO2 and a molecular weight of 315.37 g/mol. Its IUPAC name is 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one
PubChem CID11056156
Molecular FormulaC21H17NO2
Molecular Weight315.37 g/mol
Exact Mass315.13
IUPAC Name1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one
SMILESCc1cccc(=O)n1OCc1c2ccccc2cc2ccccc12
InChIInChI=1S/C21H17NO2/c1-15-7-6-12-21(23)22(15)24-14-20-18-10-4-2-8-16(18)13-17-9-3-5-11-19(17)20/h2-13H,14H2,1H3
InChIKeyWKEMAWPAGMPCQJ-UHFFFAOYSA-N
XLogP4.09
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

1-(1-Naphthalen-1-ylethoxy)pyridin-2-one
CID 102373789
1-(9-Anthrylmethoxy) pyridine
CID 132278290
N-anthrylmethoxy-2-pyridone
CID 132278406
6-[(E)-2-anthracen-9-ylethenyl]-1-hydroxy-4-methylpyridin-2-one
CID 19100000
N-[(3-benzylnaphthalen-1-yl)methoxy]acetamide
CID 19967245
6-(2-Anthracen-9-ylethenyl)-1-hydroxy-4-methylpyridin-2-one
CID 53725290
N-(3-naphthalen-2-ylpropyl)-N-phenylmethoxyacetamide
CID 53764427
N-(1-anthracen-9-ylethoxy)-3-formylcyclohexa-1,3-dien-1-amine oxide
CID 163538470
1-(Naphthalen-2-ylmethoxy)pyridin-2-one
CID 10106195
6-Methyl-1-(naphthalen-1-ylmethoxy)pyridin-2-one
CID 10264839
6-Methyl-1-(naphthalen-2-ylmethoxy)pyridin-2-one
CID 10355494
1-(Naphthalen-1-ylmethoxy)pyridin-2-one
CID 10444850

Frequently Asked Questions

What is the IUPAC name of 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one?
The IUPAC name of 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one (CID 11056156) is 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one.
What is the SMILES notation for 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one?
The canonical SMILES for 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one is Cc1cccc(=O)n1OCc1c2ccccc2cc2ccccc12.
What is the InChIKey of 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one?
The InChIKey is WKEMAWPAGMPCQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2/c1-15-7-6-12-21(23)22(15)24-14-20-18-10-4-2-8-16(18)13-17-9-3-5-11-19(17)20/h2-13H,14H2,1H3.
What are the key properties of 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one?
1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one has a molecular weight of 315.37 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(anthracen-9-ylmethoxy)-6-methylpyridin-2-one is sourced from PubChem (CID 11056156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).