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

C10H10O3 — CID 70608747

IUPAC1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CC(O)c2ccccc2C1O
InChIInChI=1S/C10H10O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,8,10-11,13H,5H2
InChIKeyXUWDTDBWQOZAFZ-UHFFFAOYSA-N
MW178.19 g/mol
LogP0.73
Rot. Bonds

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

1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 70608747) has the molecular formula C10H10O3 and a molecular weight of 178.19 g/mol. Its IUPAC name is 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one.

Molecular Properties

Compound Name1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one
PubChem CID70608747
Molecular FormulaC10H10O3
Molecular Weight178.19 g/mol
Exact Mass178.06
IUPAC Name1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one
SMILESO=C1CC(O)c2ccccc2C1O
InChIInChI=1S/C10H10O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,8,10-11,13H,5H2
InChIKeyXUWDTDBWQOZAFZ-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one?
The IUPAC name of 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one (CID 70608747) is 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one.
What is the SMILES notation for 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one?
The canonical SMILES for 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one is O=C1CC(O)c2ccccc2C1O.
What is the InChIKey of 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one?
The InChIKey is XUWDTDBWQOZAFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O3/c11-8-5-9(12)10(13)7-4-2-1-3-6(7)8/h1-4,8,10-11,13H,5H2.
What are the key properties of 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one?
1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 178.19 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dihydroxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 70608747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).