1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one

C24H21NO5 — CID 46855474

IUPAC1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3cccc(OC)c3C(=O)c3c(OC)cccc32)cc1
InChIInChI=1S/C24H21NO5/c1-27-16-12-10-15(11-13-16)14-30-25-23-17-6-4-8-19(28-2)21(17)24(26)22-18(23)7-5-9-20(22)29-3/h4-13H,14H2,1-3H3
InChIKeyVWHGKAQRYCPUSJ-UHFFFAOYSA-N
MW403.43 g/mol
LogP4.23
Rot. Bonds6

About 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one

1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one (PubChem CID 46855474) has the molecular formula C24H21NO5 and a molecular weight of 403.43 g/mol. Its IUPAC name is 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one.

Molecular Properties

Compound Name1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
PubChem CID46855474
Molecular FormulaC24H21NO5
Molecular Weight403.43 g/mol
Exact Mass403.14
IUPAC Name1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one
SMILESCOc1ccc(CON=C2c3cccc(OC)c3C(=O)c3c(OC)cccc32)cc1
InChIInChI=1S/C24H21NO5/c1-27-16-12-10-15(11-13-16)14-30-25-23-17-6-4-8-19(28-2)21(17)24(26)22-18(23)7-5-9-20(22)29-3/h4-13H,14H2,1-3H3
InChIKeyVWHGKAQRYCPUSJ-UHFFFAOYSA-N
XLogP4.23
TPSA66.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1Z)-6-methoxy-3,4-dihydronaphthalen-1(2H)-one O-(2-methoxybenzoyl)oxime
CID 6537361
1,8-Dihydroxy-3-(4-methoxy-benzyl)-10H-anthracen-9-one
CID 10337672
6-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-2-phenylchromen-4-one
CID 11611054
1,8-dihydroxy-10-[2-(4-methoxyphenyl)ethyl]-10H-anthracen-9-one
CID 44338439
10-[(4-Methoxyphenyl)methoxyimino]anthracen-9-one
CID 46855324
10-[(3-Hydroxy-4-methoxyphenyl)methoxyimino]anthracen-9-one
CID 46855468
1,8-Dihydroxy-10-[(4-methoxyphenyl)methylidene]anthracen-9-one
CID 10360124
(2-Methoxyphenyl)-(6-phenylmethoxy-3,4-dihydroisoquinolin-1-yl)methanone
CID 11079207
2-[(E)-hydroxyiminomethyl]benzo[f]chromen-1-one
CID 6885738
1,8-Dihydroxy-2-(2-methoxy-benzyl)-10H-anthracen-9-one
CID 10382977
7-[(2E)-2-hydroxyimino-2-(4-methoxyphenyl)ethoxy]-3-phenylchromen-4-one
CID 24202960
7-[(2E)-2-methoxyimino-2-phenylethoxy]-3-phenylchromen-4-one
CID 24202962

Frequently Asked Questions

What is the IUPAC name of 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The IUPAC name of 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one (CID 46855474) is 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one.
What is the SMILES notation for 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The canonical SMILES for 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one is COc1ccc(CON=C2c3cccc(OC)c3C(=O)c3c(OC)cccc32)cc1.
What is the InChIKey of 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
The InChIKey is VWHGKAQRYCPUSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO5/c1-27-16-12-10-15(11-13-16)14-30-25-23-17-6-4-8-19(28-2)21(17)24(26)22-18(23)7-5-9-20(22)29-3/h4-13H,14H2,1-3H3.
What are the key properties of 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one?
1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one has a molecular weight of 403.43 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,8-dimethoxy-10-[(4-methoxyphenyl)methoxyimino]anthracen-9-one is sourced from PubChem (CID 46855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).