Acetylresorcinol

C8H8O3 — CID 5055

IUPAC(3-hydroxyphenyl) acetate
SMILESCC(=O)OC1=CC=CC(=C1)O
InChIInChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKeyZZPKZRHERLGEKA-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.30
Rot. Bonds2

About Acetylresorcinol

Acetylresorcinol (PubChem CID 5055) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is (3-hydroxyphenyl) acetate.

Molecular Properties

Compound NameAcetylresorcinol
PubChem CID5055
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name(3-hydroxyphenyl) acetate
SMILESCC(=O)OC1=CC=CC(=C1)O
InChIInChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3
InChIKeyZZPKZRHERLGEKA-UHFFFAOYSA-N
XLogP1.30
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity144

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylumbelliferone
CID 5280567
Phenyl acetate
CID 31229
3-Methoxyphenol
CID 9007
Flamenol
CID 71648
3-Phenoxyphenol
CID 12842
3,5-Dimethoxyphenol
CID 10383
4-Hydroxyphenyl acetate
CID 96009
1,3-Diacetoxybenzene
CID 7942
3-Ethoxyphenol
CID 69306
7-hydroxy-4-propyl-2H-chromen-2-one
CID 5322246
1,2,4-Triacetoxybenzene
CID 69169
2-(3-Methoxyphenoxy)acetic acid
CID 74969

Frequently Asked Questions

What is the IUPAC name of Acetylresorcinol?
The IUPAC name of Acetylresorcinol (CID 5055) is (3-hydroxyphenyl) acetate.
What is the SMILES notation for Acetylresorcinol?
The canonical SMILES for Acetylresorcinol is CC(=O)OC1=CC=CC(=C1)O.
What is the InChIKey of Acetylresorcinol?
The InChIKey is ZZPKZRHERLGEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-6(9)11-8-4-2-3-7(10)5-8/h2-5,10H,1H3.
What are the key properties of Acetylresorcinol?
Acetylresorcinol has a molecular weight of 152.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Acetylresorcinol is sourced from PubChem (CID 5055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).