4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one

C10H10O3 — CID 10442251

IUPAC4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(O)c2cccc(O)c21
InChIInChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2
InChIKeyZXYYTDCENDYKBR-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.40
Rot. Bonds

About 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one

4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one (PubChem CID 10442251) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one.

Molecular Properties

Compound Name4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
PubChem CID10442251
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one
SMILESO=C1CCC(O)c2cccc(O)c21
InChIInChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2
InChIKeyZXYYTDCENDYKBR-UHFFFAOYSA-N
XLogP1.40
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The IUPAC name of 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one (CID 10442251) is 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one.
What is the SMILES notation for 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The canonical SMILES for 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one is O=C1CCC(O)c2cccc(O)c21.
What is the InChIKey of 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one?
The InChIKey is ZXYYTDCENDYKBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-7-4-5-9(13)10-6(7)2-1-3-8(10)12/h1-3,7,11-12H,4-5H2.
What are the key properties of 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one?
4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one has a molecular weight of 178.19 g/mol, XLogP of 1.40, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8-dihydroxy-3,4-dihydro-2H-naphthalen-1-one is sourced from PubChem (CID 10442251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).