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

C10H10O4 — CID 23258848

IUPAC(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cccc(O)c2[C@@H](O)C[C@@H]1O
InChIInChI=1S/C10H10O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-3,7-8,11-13H,4H2/t7-,8-/m0/s1
InChIKeyIWQBULDDQSARRE-YUMQZZPRSA-N
MW194.19 g/mol
LogP0.37
Rot. Bonds

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

(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 23258848) has the molecular formula C10H10O4 and a molecular weight of 194.19 g/mol. Its IUPAC name is (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID23258848
Molecular FormulaC10H10O4
Molecular Weight194.19 g/mol
Exact Mass194.06
IUPAC Name(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1c2cccc(O)c2[C@@H](O)C[C@@H]1O
InChIInChI=1S/C10H10O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-3,7-8,11-13H,4H2/t7-,8-/m0/s1
InChIKeyIWQBULDDQSARRE-YUMQZZPRSA-N
XLogP0.37
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 ≤ 50.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 23258848) is (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1c2cccc(O)c2[C@@H](O)C[C@@H]1O.
What is the InChIKey of (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is IWQBULDDQSARRE-YUMQZZPRSA-N. The full InChI is InChI=1S/C10H10O4/c11-6-3-1-2-5-9(6)7(12)4-8(13)10(5)14/h1-3,7-8,11-13H,4H2/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one?
(2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 194.19 g/mol, XLogP of 0.37, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2,4,5-trihydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 23258848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).