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

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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).