3,4-dihydroxy-2H-naphthalen-1-one

C10H8O3 — CID 167681801

IUPAC3,4-dihydroxy-2H-naphthalen-1-one
SMILESO=C1CC(O)=C(O)c2ccccc21
InChIInChI=1S/C10H8O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,12-13H,5H2
InChIKeyVQNVKIIBXVSJAP-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.06
Rot. Bonds

About 3,4-dihydroxy-2H-naphthalen-1-one

3,4-dihydroxy-2H-naphthalen-1-one (PubChem CID 167681801) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 3,4-dihydroxy-2H-naphthalen-1-one.

Molecular Properties

Compound Name3,4-dihydroxy-2H-naphthalen-1-one
PubChem CID167681801
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name3,4-dihydroxy-2H-naphthalen-1-one
SMILESO=C1CC(O)=C(O)c2ccccc21
InChIInChI=1S/C10H8O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,12-13H,5H2
InChIKeyVQNVKIIBXVSJAP-UHFFFAOYSA-N
XLogP2.06
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydroxy-2H-naphthalen-1-one 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

3H-indene-1,2-diol
CID 69341367
tricyclo[10.4.0.04,9]hexadeca-1(16),4,6,8,12,14-hexaene-2,11-dione
CID 163817575
3-hydroxy-2H-naphthalen-1-one
CID 135798697
(3E)-3-hydroxyiminoinden-1-one
CID 6418558
cobalt;bis(naphthalene-1,2,4-trione)
CID 70554472
benzo[b][1]benzothiocine-10,12-dione
CID 13450297
ethane;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-one
CID 91187219
3-hydroxy-4-(1-hydroxy-3-oxoinden-2-yl)-2H-furan-5-one
CID 137241667
(9aR)-10-hydroxy-3,9a-dihydro-2H-anthracene-1,4,9-trione
CID 6920354
14-bromotricyclo[10.4.0.04,9]hexadeca-1(12),4,6,8,13,15-hexaene-2,11-dione
CID 145241657
10-hydroxy-3-methyl-4H-anthracen-9-one
CID 143056361
3,4-dihydrocyclopenta[a]naphthalen-5-one
CID 22341653

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydroxy-2H-naphthalen-1-one?
The IUPAC name of 3,4-dihydroxy-2H-naphthalen-1-one (CID 167681801) is 3,4-dihydroxy-2H-naphthalen-1-one.
What is the SMILES notation for 3,4-dihydroxy-2H-naphthalen-1-one?
The canonical SMILES for 3,4-dihydroxy-2H-naphthalen-1-one is O=C1CC(O)=C(O)c2ccccc21.
What is the InChIKey of 3,4-dihydroxy-2H-naphthalen-1-one?
The InChIKey is VQNVKIIBXVSJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,12-13H,5H2.
What are the key properties of 3,4-dihydroxy-2H-naphthalen-1-one?
3,4-dihydroxy-2H-naphthalen-1-one has a molecular weight of 176.17 g/mol, XLogP of 2.06, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydroxy-2H-naphthalen-1-one is sourced from PubChem (CID 167681801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).