4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione

C23H18O6 — CID 161325544

IUPAC4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione
SMILESO=C1C=Cc2ccccc2C1=O.Oc1ccc(Cc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C13H12O4.C10H6O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6-7,14-17H,5H2;1-6H
InChIKeyVKSHYNLDHBGQCD-UHFFFAOYSA-N
MW390.39 g/mol
LogP3.57
Rot. Bonds2

About 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione

4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione (PubChem CID 161325544) has the molecular formula C23H18O6 and a molecular weight of 390.39 g/mol. Its IUPAC name is 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione.

Molecular Properties

Compound Name4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione
PubChem CID161325544
Molecular FormulaC23H18O6
Molecular Weight390.39 g/mol
Exact Mass390.11
IUPAC Name4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione
SMILESO=C1C=Cc2ccccc2C1=O.Oc1ccc(Cc2ccc(O)cc2O)c(O)c1
InChIInChI=1S/C13H12O4.C10H6O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6-7,14-17H,5H2;1-6H
InChIKeyVKSHYNLDHBGQCD-UHFFFAOYSA-N
XLogP3.57
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.39
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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'}

Analyze 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-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-[(2,4-dihydroxyphenyl)methyl]-1,8-dihydroxyanthracene-9,10-dione
CID 10316565
furan;naphthalene-1,2-dione
CID 157089682
2-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol
CID 86005366
1-chloropentane;naphthalene-1,2-dione
CID 174978866
4-[[2-hydroxy-3-[(2-hydroxyphenyl)methyl]-5-methylphenyl]methyl]benzene-1,3-diol
CID 138718814
4-ethylbenzene-1,3-diol
CID 17927
4-(2-phenylethyl)benzene-1,3-diol;hydrate
CID 174818892
2-hydroxyanthracene-9,10-dione
CID 11796
4-[[(2,4-dihydroxyphenyl)methylamino]methyl]benzene-1,3-diol
CID 154092442
anthracene-1,2-dione
CID 160810098
2-(2,4-dihydroxyphenyl)-1-phenylethanone
CID 15669269
3-[(2,4-dihydroxyphenyl)methyl]-1H-pyrrole-2,5-diol
CID 123591745

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione?
The IUPAC name of 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione (CID 161325544) is 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione.
What is the SMILES notation for 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione?
The canonical SMILES for 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione is O=C1C=Cc2ccccc2C1=O.Oc1ccc(Cc2ccc(O)cc2O)c(O)c1.
What is the InChIKey of 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione?
The InChIKey is VKSHYNLDHBGQCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4.C10H6O2/c14-10-3-1-8(12(16)6-10)5-9-2-4-11(15)7-13(9)17;11-9-6-5-7-3-1-2-4-8(7)10(9)12/h1-4,6-7,14-17H,5H2;1-6H.
What are the key properties of 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione?
4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione has a molecular weight of 390.39 g/mol, XLogP of 3.57, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dihydroxyphenyl)methyl]benzene-1,3-diol;naphthalene-1,2-dione is sourced from PubChem (CID 161325544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).