3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione

C18H14O5 — CID 10781237

IUPAC3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione
SMILESCOc1ccc(C2=C(O)c3ccccc3C(=O)C2=O)cc1OC
InChIInChI=1S/C18H14O5/c1-22-13-8-7-10(9-14(13)23-2)15-16(19)11-5-3-4-6-12(11)17(20)18(15)21/h3-9,19H,1-2H3
InChIKeyIVPLLUXYAZEKJE-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.90
Rot. Bonds3

About 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione

3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione (PubChem CID 10781237) has the molecular formula C18H14O5 and a molecular weight of 310.31 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione
PubChem CID10781237
Molecular FormulaC18H14O5
Molecular Weight310.31 g/mol
Exact Mass310.08
IUPAC Name3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione
SMILESCOc1ccc(C2=C(O)c3ccccc3C(=O)C2=O)cc1OC
InChIInChI=1S/C18H14O5/c1-22-13-8-7-10(9-14(13)23-2)15-16(19)11-5-3-4-6-12(11)17(20)18(15)21/h3-9,19H,1-2H3
InChIKeyIVPLLUXYAZEKJE-UHFFFAOYSA-N
XLogP2.90
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-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

2-(3,4-dimethoxyphenyl)-3-(trifluoromethyl)naphthalene-1,4-dione
CID 132607808
[2-(3,4-dimethoxyphenyl)phenyl]boronic acid
CID 135023624
2-[(3S,4R)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxyinden-1-one
CID 30225315
2-[(3R,4R)-3-(3,4-dimethoxyphenyl)-4-phenyl-3,4-dihydropyridazin-6-yl]-3-hydroxyinden-1-one
CID 30225311
3-bromo-2-(1-hydroxy-3,4-dioxonaphthalen-2-yl)-6-methoxynaphthalene-1,4-dione
CID 135411073
3-amino-2-(3,4-dimethoxyphenyl)-5-methoxyinden-1-one
CID 15882763
4-hydroxy-3-(3-prop-2-enylphenyl)naphthalene-1,2-dione
CID 89015380
3-(3,4-dimethoxyphenyl)-4-hydroxy-1-(3-methylphenyl)pyrrole-2,5-dione
CID 110581509
3-(3,4-dimethoxyphenyl)phenol
CID 39231875
methyl (2E)-2-(3,4-dimethoxyphenyl)-2-[4-(3,4-dimethoxyphenyl)-3-hydroxy-5-oxofuran-2-ylidene]acetate
CID 54675942
2-[2-(3,4-dimethoxyphenyl)phenyl]acetaldehyde
CID 87253869
1,4,8,11-tetrakis(3,4-dimethoxyphenyl)quinoxalino[2,3-b]phenazine-6,13-dione
CID 170781812

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione (CID 10781237) is 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione is COc1ccc(C2=C(O)c3ccccc3C(=O)C2=O)cc1OC.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione?
The InChIKey is IVPLLUXYAZEKJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14O5/c1-22-13-8-7-10(9-14(13)23-2)15-16(19)11-5-3-4-6-12(11)17(20)18(15)21/h3-9,19H,1-2H3.
What are the key properties of 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione?
3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione has a molecular weight of 310.31 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-4-hydroxynaphthalene-1,2-dione is sourced from PubChem (CID 10781237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).