5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione

C18H14O4 — CID 122185484

IUPAC5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
SMILESCOc1cccc2c1C(=O)C=C(Oc1ccc(C)cc1)C2=O
InChIInChI=1S/C18H14O4/c1-11-6-8-12(9-7-11)22-16-10-14(19)17-13(18(16)20)4-3-5-15(17)21-2/h3-10H,1-2H3
InChIKeyTZQXOUCVVSZTRM-UHFFFAOYSA-N
MW294.31 g/mol
LogP3.35
Rot. Bonds3

About 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione

5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione (PubChem CID 122185484) has the molecular formula C18H14O4 and a molecular weight of 294.31 g/mol. Its IUPAC name is 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione.

Molecular Properties

Compound Name5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
PubChem CID122185484
Molecular FormulaC18H14O4
Molecular Weight294.31 g/mol
Exact Mass294.09
IUPAC Name5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione
SMILESCOc1cccc2c1C(=O)C=C(Oc1ccc(C)cc1)C2=O
InChIInChI=1S/C18H14O4/c1-11-6-8-12(9-7-11)22-16-10-14(19)17-13(18(16)20)4-3-5-15(17)21-2/h3-10H,1-2H3
InChIKeyTZQXOUCVVSZTRM-UHFFFAOYSA-N
XLogP3.35
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.31
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[4-(2-methoxyethylamino)butoxy]-2-(4-methoxyphenoxy)naphthalene-1,4-dione
CID 174169896
5-(4-bromobutoxy)-2-phenoxynaphthalene-1,4-dione
CID 170670636
2-(4-methoxyphenoxy)-5-(3-morpholin-4-ylpropoxy)naphthalene-1,4-dione
CID 170670674
5-methoxy-2-(trideuteriomethyl)naphthalene-1,4-dione
CID 162641575
1,5-dimethoxyfluoren-9-one
CID 19594782
8-methoxy-2-(4-methylphenyl)sulfanylnaphthalene-1,4-dione
CID 6481305
methyl (E)-3-(5-methoxy-1,4-dioxonaphthalen-2-yl)prop-2-enoate
CID 170895316
5-methoxy-2-[2-methoxy-4-methyl-6-[(E)-3-oxobut-1-enyl]phenyl]naphthalene-1,4-dione
CID 10667235
5-methoxy-2-(5-methoxy-3-methyl-1,4-dioxonaphthalen-2-yl)-3-methylnaphthalene-1,4-dione
CID 633617
2-heptyl-5-methoxynaphthalene-1,4-dione
CID 86065569
2,3-bis(4-methylphenoxy)naphthalene-1,4-dione
CID 14091253
9-methoxy-2-methylbenzo[g][1]benzofuran-4,5-dione
CID 164617601

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione?
The IUPAC name of 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione (CID 122185484) is 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione.
What is the SMILES notation for 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione?
The canonical SMILES for 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione is COc1cccc2c1C(=O)C=C(Oc1ccc(C)cc1)C2=O.
What is the InChIKey of 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione?
The InChIKey is TZQXOUCVVSZTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O4/c1-11-6-8-12(9-7-11)22-16-10-14(19)17-13(18(16)20)4-3-5-15(17)21-2/h3-10H,1-2H3.
What are the key properties of 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione?
5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione has a molecular weight of 294.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-(4-methylphenoxy)naphthalene-1,4-dione is sourced from PubChem (CID 122185484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).