(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H10O4 — CID 46239261

IUPAC(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC[C@H](O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H10O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,7,11-13H,3-4H2/t7-/m0/s1
InChIKeyVIORJHPCHINTKE-ZETCQYMHSA-N
MW194.19 g/mol
LogP1.11
Rot. Bonds

About (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one

(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 46239261) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID46239261
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CC[C@H](O)c2c(O)ccc(O)c21
InChIInChI=1S/C10H10O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,7,11-13H,3-4H2/t7-/m0/s1
InChIKeyVIORJHPCHINTKE-ZETCQYMHSA-N
XLogP1.11
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.19
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 46239261) is (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CC[C@H](O)c2c(O)ccc(O)c21.
What is the InChIKey of (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is VIORJHPCHINTKE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10O4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-2,7,11-13H,3-4H2/t7-/m0/s1.
What are the key properties of (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
(4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 194.19 g/mol, XLogP of 1.11, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4,5,8-trihydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 46239261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).