3',5'-Dihydroxyacetophenone

C8H8O3 — CID 103993

IUPAC1-(3,5-dihydroxyphenyl)ethanone
SMILESCC(=O)C1=CC(=CC(=C1)O)O
InChIInChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
InChIKeyWQXWIKCZNIGMAP-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.90
Rot. Bonds1

About 3',5'-Dihydroxyacetophenone

3',5'-Dihydroxyacetophenone (PubChem CID 103993) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1-(3,5-dihydroxyphenyl)ethanone.

Molecular Properties

Compound Name3',5'-Dihydroxyacetophenone
PubChem CID103993
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name1-(3,5-dihydroxyphenyl)ethanone
SMILESCC(=O)C1=CC(=CC(=C1)O)O
InChIInChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3
InChIKeyWQXWIKCZNIGMAP-UHFFFAOYSA-N
XLogP0.90
TPSA57.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity145

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3',5'-Dihydroxyacetophenone?
The IUPAC name of 3',5'-Dihydroxyacetophenone (CID 103993) is 1-(3,5-dihydroxyphenyl)ethanone.
What is the SMILES notation for 3',5'-Dihydroxyacetophenone?
The canonical SMILES for 3',5'-Dihydroxyacetophenone is CC(=O)C1=CC(=CC(=C1)O)O.
What is the InChIKey of 3',5'-Dihydroxyacetophenone?
The InChIKey is WQXWIKCZNIGMAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H3.
What are the key properties of 3',5'-Dihydroxyacetophenone?
3',5'-Dihydroxyacetophenone has a molecular weight of 152.15 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3',5'-Dihydroxyacetophenone is sourced from PubChem (CID 103993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).